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DNA (cytosine-5)-methyltransferase 1

Intramolecular
Cysteine 893 and cysteine 896
Cysteine 359 and cysteine 362
Cysteine 667 and cysteine 670
Cysteine 659 and cysteine 691
Cysteine 656 and cysteine 694
Cysteine 664 and cysteine 686
Cysteine 356 and cysteine 414
Cysteine 667 and cysteine 673
Cysteine 1478 and cysteine 1485 L
Cysteine 356 and cysteine 420
More...
Cysteine 656 and cysteine 659
Cysteine 359 and cysteine 420
Cysteine 670 and cysteine 686
Cysteine 820 and cysteine 893
Cysteine 653 and cysteine 659
Cysteine 820 and cysteine 896
Cysteine 667 and cysteine 686
Cysteine 1476 and cysteine 1478 L
Cysteine 670 and cysteine 673
Cysteine 1476 and cysteine 1485
Cysteine 414 and cysteine 420
Cysteine 927 and cysteine 1005
Cysteine 656 and cysteine 691
Cysteine 359 and cysteine 426
Cysteine 653 and cysteine 656
Cysteine 1414 and cysteine 1553
Cysteine 1255 and cysteine 1286
Cysteine 1289 and cysteine 1297
Cysteine 1258 and cysteine 1297
A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 893 and 896.

Details

Redox score ?
91
PDB code
3pta
Structure name
crystal structure of human dnmt1(646-1600) in complex with dna
Structure deposition date
2010-12-02
Thiol separation (Å)
4
Half-sphere exposure sum ?
63
Minimum pKa ?
2
% buried
53
Peptide accession
P26358
Residue number A
893
Residue number B
896
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 893 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 896 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 359 and 362.

Details

Redox score ?
88
PDB code
3av5
Structure name
crystal structure of mouse dna methyltransferase 1 with adohcy
Structure deposition date
2011-02-22
Thiol separation (Å)
4
Half-sphere exposure sum ?
51
Minimum pKa ?
6
% buried
22
Peptide accession
P13864
Residue number A
359
Residue number B
362
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 359 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 362 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 667 and 670.

Details

Redox score ?
88
PDB code
3pt6
Structure name
crystal structure of mouse dnmt1(650-1602) in complex with dna
Structure deposition date
2010-12-02
Thiol separation (Å)
4
Half-sphere exposure sum ?
39
Minimum pKa ?
5
% buried
0
Peptide accession
P13864
Residue number A
667
Residue number B
670
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 667 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 670 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 659 and 691.

Details

Redox score ?
87
PDB code
3pta
Structure name
crystal structure of human dnmt1(646-1600) in complex with dna
Structure deposition date
2010-12-02
Thiol separation (Å)
4
Half-sphere exposure sum ?
46
Minimum pKa ?
6
% buried
55
Peptide accession
P26358
Residue number A
659
Residue number B
691
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 659 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 691 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 656 and 694.

Details

Redox score ?
86
PDB code
3pt6
Structure name
crystal structure of mouse dnmt1(650-1602) in complex with dna
Structure deposition date
2010-12-02
Thiol separation (Å)
4
Half-sphere exposure sum ?
51
Minimum pKa ?
6
% buried
nan
Peptide accession
P13864
Residue number A
656
Residue number B
694
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 656 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 694 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 664 and 686.

Details

Redox score ?
86
PDB code
4wxx
Structure name
the crystal structure of human dnmt1(351-1600)
Structure deposition date
2014-11-14
Thiol separation (Å)
4
Half-sphere exposure sum ?
49
Minimum pKa ?
6
% buried
4
Peptide accession
P26358
Residue number A
664
Residue number B
686
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 664 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 686 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 356 and 414.

Details

Redox score ?
85
PDB code
4wxx
Structure name
the crystal structure of human dnmt1(351-1600)
Structure deposition date
2014-11-14
Thiol separation (Å)
4
Half-sphere exposure sum ?
68
Minimum pKa ?
3
% buried
39
Peptide accession
P26358
Residue number A
356
Residue number B
414
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 356 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 414 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 667 and 673.

Details

Redox score ?
85
PDB code
3pt6
Structure name
crystal structure of mouse dnmt1(650-1602) in complex with dna
Structure deposition date
2010-12-02
Thiol separation (Å)
4
Half-sphere exposure sum ?
46
Minimum pKa ?
5
% buried
3
Peptide accession
P13864
Residue number A
667
Residue number B
673
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 667 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 673 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 1478 and 1485.

Details

Redox score ?
84
PDB code
6x9i
Structure name
human dnmt1(729-1600) bound to zebularine-containing 12mer dsdna
Structure deposition date
2020-06-02
Thiol separation (Å)
3
Half-sphere exposure sum ?
48
Minimum pKa ?
9
% buried
21
Peptide accession
P26358
Residue number A
1478
Residue number B
1485
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 1478 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 1485 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 356 and 420.

Details

Redox score ?
84
PDB code
4wxx
Structure name
the crystal structure of human dnmt1(351-1600)
Structure deposition date
2014-11-14
Thiol separation (Å)
4
Half-sphere exposure sum ?
77
Minimum pKa ?
3
% buried
64
Peptide accession
P26358
Residue number A
356
Residue number B
420
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 356 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 420 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 656 and 659.

Details

Redox score ?
84
PDB code
3pta
Structure name
crystal structure of human dnmt1(646-1600) in complex with dna
Structure deposition date
2010-12-02
Thiol separation (Å)
4
Half-sphere exposure sum ?
54
Minimum pKa ?
6
% buried
59
Peptide accession
P26358
Residue number A
656
Residue number B
659
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 656 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 659 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 359 and 420.

Details

Redox score ?
84
PDB code
3av5
Structure name
crystal structure of mouse dna methyltransferase 1 with adohcy
Structure deposition date
2011-02-22
Thiol separation (Å)
4
Half-sphere exposure sum ?
55
Minimum pKa ?
6
% buried
24
Peptide accession
P13864
Residue number A
359
Residue number B
420
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 359 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 420 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 670 and 686.

Details

Redox score ?
84
PDB code
3swr
Structure name
structure of human dnmt1 (601-1600) in complex with sinefungin
Structure deposition date
2011-07-14
Thiol separation (Å)
3
Half-sphere exposure sum ?
61
Minimum pKa ?
7
% buried
0
Peptide accession
P26358
Residue number A
670
Residue number B
686
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 670 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 686 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 820 and 893.

Details

Redox score ?
82
PDB code
7sfc
Structure name
human dnmt1(729-1600) bound to zebularine-containing 12mer dsdna and inhibitor gsk3735967a
Structure deposition date
2021-10-03
Thiol separation (Å)
4
Half-sphere exposure sum ?
64
Minimum pKa ?
6
% buried
56
Peptide accession
P26358
Residue number A
820
Residue number B
893
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 820 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 893 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 653 and 659.

Details

Redox score ?
81
PDB code
3pta
Structure name
crystal structure of human dnmt1(646-1600) in complex with dna
Structure deposition date
2010-12-02
Thiol separation (Å)
4
Half-sphere exposure sum ?
53
Minimum pKa ?
6
% buried
nan
Peptide accession
P26358
Residue number A
653
Residue number B
659
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 653 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 659 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 820 and 896.

Details

Redox score ?
81
PDB code
7sfe
Structure name
human dnmt1(729-1600) bound to zebularine-containing 12mer dsdna and inhibitor gsk3830334a
Structure deposition date
2021-10-03
Thiol separation (Å)
4
Half-sphere exposure sum ?
56
Minimum pKa ?
8
% buried
38
Peptide accession
P26358
Residue number A
820
Residue number B
896
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 820 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 896 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 667 and 686.

Details

Redox score ?
80
PDB code
4wxx
Structure name
the crystal structure of human dnmt1(351-1600)
Structure deposition date
2014-11-14
Thiol separation (Å)
4
Half-sphere exposure sum ?
51
Minimum pKa ?
7
% buried
4
Peptide accession
P26358
Residue number A
667
Residue number B
686
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 667 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 686 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 1476 and 1478.

Details

Redox score ?
79
PDB code
6x9j
Structure name
human dnmt1(729-1600) bound to zebularine-containing 12mer dsdna and inhibitor gsk3830052
Structure deposition date
2020-06-02
Thiol separation (Å)
4
Half-sphere exposure sum ?
60
Minimum pKa ?
8
% buried
25
Peptide accession
P26358
Residue number A
1476
Residue number B
1478
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 1476 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 1478 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 670 and 673.

Details

Redox score ?
78
PDB code
3pt6
Structure name
crystal structure of mouse dnmt1(650-1602) in complex with dna
Structure deposition date
2010-12-02
Thiol separation (Å)
4
Half-sphere exposure sum ?
47
Minimum pKa ?
9
% buried
3
Peptide accession
P13864
Residue number A
670
Residue number B
673
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 670 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 673 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 1476 and 1485.

Details

Redox score ?
77
PDB code
6x9j
Structure name
human dnmt1(729-1600) bound to zebularine-containing 12mer dsdna and inhibitor gsk3830052
Structure deposition date
2020-06-02
Thiol separation (Å)
4
Half-sphere exposure sum ?
52
Minimum pKa ?
8
% buried
18
Peptide accession
P26358
Residue number A
1476
Residue number B
1485
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 1476 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 1485 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 414 and 420.

Details

Redox score ?
77
PDB code
3epz
Structure name
structure of the replication foci-targeting sequence of human dna cytosine methyltransferase dnmt1
Structure deposition date
2008-09-30
Thiol separation (Å)
5
Half-sphere exposure sum ?
73
Minimum pKa ?
3
% buried
60
Peptide accession
P26358
Residue number A
414
Residue number B
420
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 414 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 420 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 927 and 1005.

Details

Redox score ?
74
PDB code
5gut
Structure name
the crystal structure of mouse dnmt1 (731-1602) mutant - n1248a
Structure deposition date
2016-08-31
Thiol separation (Å)
4
Half-sphere exposure sum ?
72
Minimum pKa ?
10
% buried
42
Peptide accession
P13864
Residue number A
927
Residue number B
1005
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 927 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 1005 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 656 and 691.

Details

Redox score ?
65
PDB code
3pta
Structure name
crystal structure of human dnmt1(646-1600) in complex with dna
Structure deposition date
2010-12-02
Thiol separation (Å)
4
Half-sphere exposure sum ?
52
Minimum pKa ?
14
% buried
59
Peptide accession
P26358
Residue number A
656
Residue number B
691
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 656 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 691 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 359 and 426.

Details

Redox score ?
64
PDB code
5wy1
Structure name
crystal structure of mouse dna methyltransferase 1 (t1505a mutant)
Structure deposition date
2017-01-10
Thiol separation (Å)
7
Half-sphere exposure sum ?
62
Minimum pKa ?
6
% buried
43
Peptide accession
P13864
Residue number A
359
Residue number B
426
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 359 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 426 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 653 and 656. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
3pta
Structure name
crystal structure of human dnmt1(646-1600) in complex with dna
Structure deposition date
2010-12-02
Thiol separation (Å)
3
Half-sphere exposure sum ?
58
Minimum pKa ?
22
% buried
nan
Peptide accession
P26358
Residue number A
653
Residue number B
656
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 653 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 656 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 1414 and 1553. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
6x9i
Structure name
human dnmt1(729-1600) bound to zebularine-containing 12mer dsdna
Structure deposition date
2020-06-02
Thiol separation (Å)
9
Half-sphere exposure sum ?
83
Minimum pKa ?
12
% buried
94
Peptide accession
P26358
Residue number A
1414
Residue number B
1553
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 1414 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 1553 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 1255 and 1286. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
4wxx
Structure name
the crystal structure of human dnmt1(351-1600)
Structure deposition date
2014-11-14
Thiol separation (Å)
8
Half-sphere exposure sum ?
89
Minimum pKa ?
13
% buried
100
Peptide accession
P26358
Residue number A
1255
Residue number B
1286
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 1255 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 1286 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 1289 and 1297. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
28
PDB code
3pt9
Structure name
crystal structure of mouse dnmt1(731-1602) in the free state
Structure deposition date
2010-12-02
Thiol separation (Å)
10
Half-sphere exposure sum ?
77
Minimum pKa ?
11
% buried
92
Peptide accession
P13864
Residue number A
1289
Residue number B
1297
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 1289 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 1297 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within DNA (cytosine-5)-methyltransferase 1 between cysteines 1258 and 1297. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
26
PDB code
4da4
Structure name
structure of mouse dnmt1 (731-1602) bound to hemimethylated cpg dna
Structure deposition date
2012-01-12
Thiol separation (Å)
10
Half-sphere exposure sum ?
91
Minimum pKa ?
13
% buried
100
Peptide accession
P13864
Residue number A
1258
Residue number B
1297
Peptide name
DNA (cytosine-5)-methyltransferase 1

Ligandability

Cysteine 1258 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

Cysteine 1297 of DNA (cytosine-5)-methyltransferase 1

Not ligandable in the dataset of Yang et al.

Not ligandable in the dataset of Yan et al.

Not ligandable in the dataset of Backus et al.

Not ligandable in the dataset of Vinogradova et al.

Not ligandable in the dataset of Cao et al.

Not ligandable in the dataset of Kuljanin et al.

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