ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

DNA ligase 3

Intramolecular
Cysteine 105 and cysteine 108
Cysteine 108 and cysteine 142
Cysteine 105 and cysteine 142
Cysteine 715 and cysteine 724
Cysteine 729 and cysteine 807
Cysteine 999 and cysteine 1009 L
Cysteine 270 and cysteine 411
Cysteine 489 and cysteine 499
Cysteine 94 and cysteine 117
Cysteine 404 and cysteine 411
A redox-regulated disulphide may form within DNA ligase 3 between cysteines 105 and 108 (18 and 21 respectively in this structure).

Details

Redox score ?
85
PDB code
1uw0
Structure name
solution structure of the zinc-finger domain from dna ligase iiia
Structure deposition date
2004-01-27
Thiol separation (Å)
4
Half-sphere exposure sum ?
44
Minimum pKa ?
8
% buried
10
Peptide accession
P49916
Residue number A
105
Residue number B
108
Peptide name
DNA ligase 3

Ligandability

Cysteine 105 of DNA ligase 3

Cysteine 108 of DNA ligase 3

A redox-regulated disulphide may form within DNA ligase 3 between cysteines 108 and 142 (21 and 55 respectively in this structure).

Details

Redox score ?
81
PDB code
1uw0
Structure name
solution structure of the zinc-finger domain from dna ligase iiia
Structure deposition date
2004-01-27
Thiol separation (Å)
4
Half-sphere exposure sum ?
43
Minimum pKa ?
8
% buried
12
Peptide accession
P49916
Residue number A
108
Residue number B
142
Peptide name
DNA ligase 3

Ligandability

Cysteine 108 of DNA ligase 3

Cysteine 142 of DNA ligase 3

A redox-regulated disulphide may form within DNA ligase 3 between cysteines 105 and 142 (18 and 55 respectively in this structure).

Details

Redox score ?
76
PDB code
1uw0
Structure name
solution structure of the zinc-finger domain from dna ligase iiia
Structure deposition date
2004-01-27
Thiol separation (Å)
4
Half-sphere exposure sum ?
51
Minimum pKa ?
10
% buried
14
Peptide accession
P49916
Residue number A
105
Residue number B
142
Peptide name
DNA ligase 3

Ligandability

Cysteine 105 of DNA ligase 3

Cysteine 142 of DNA ligase 3

A redox-regulated disulphide may form within DNA ligase 3 between cysteines 715 and 724 (628 and 637 respectively in this structure).

Details

Redox score ?
70
PDB code
3l2p
Structure name
human dna ligase iii recognizes dna ends by dynamic switching between two dna bound states
Structure deposition date
2009-12-15
Thiol separation (Å)
5
Half-sphere exposure sum ?
77
Minimum pKa ?
9
% buried
39
Peptide accession
P49916
Residue number A
715
Residue number B
724
Peptide name
DNA ligase 3

Ligandability

Cysteine 715 of DNA ligase 3

Cysteine 724 of DNA ligase 3

A redox-regulated disulphide may form within DNA ligase 3 between cysteines 729 and 807 (642 and 720 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
58
PDB code
3l2p
Structure name
human dna ligase iii recognizes dna ends by dynamic switching between two dna bound states
Structure deposition date
2009-12-15
Thiol separation (Å)
6
Half-sphere exposure sum ?
70
Minimum pKa ?
12
% buried
89
Peptide accession
P49916
Residue number A
729
Residue number B
807
Peptide name
DNA ligase 3

Ligandability

Cysteine 729 of DNA ligase 3

Cysteine 807 of DNA ligase 3

A redox-regulated disulphide may form within DNA ligase 3 between cysteines 999 and 1009 (912 and 922 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
1in1
Structure name
nmr structure of human dna ligase iiialpha brct domain
Structure deposition date
2001-05-11
Thiol separation (Å)
8
Half-sphere exposure sum ?
nan
Minimum pKa ?
9
% buried
28
Peptide accession
P49916
Residue number A
999
Residue number B
1009
Peptide name
DNA ligase 3

Ligandability

Cysteine 999 of DNA ligase 3

Cysteine 1009 of DNA ligase 3

A redox-regulated disulphide may form within DNA ligase 3 between cysteines 270 and 411 (183 and 324 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
3l2p
Structure name
human dna ligase iii recognizes dna ends by dynamic switching between two dna bound states
Structure deposition date
2009-12-15
Thiol separation (Å)
6
Half-sphere exposure sum ?
75
Minimum pKa ?
12
% buried
100
Peptide accession
P49916
Residue number A
270
Residue number B
411
Peptide name
DNA ligase 3

Ligandability

Cysteine 270 of DNA ligase 3

Cysteine 411 of DNA ligase 3

A redox-regulated disulphide may form within DNA ligase 3 between cysteines 489 and 499 (402 and 412 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
3l2p
Structure name
human dna ligase iii recognizes dna ends by dynamic switching between two dna bound states
Structure deposition date
2009-12-15
Thiol separation (Å)
8
Half-sphere exposure sum ?
59
Minimum pKa ?
11
% buried
70
Peptide accession
P49916
Residue number A
489
Residue number B
499
Peptide name
DNA ligase 3

Ligandability

Cysteine 489 of DNA ligase 3

Cysteine 499 of DNA ligase 3

A redox-regulated disulphide may form within DNA ligase 3 between cysteines 94 and 117 (7 and 30 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
1uw0
Structure name
solution structure of the zinc-finger domain from dna ligase iiia
Structure deposition date
2004-01-27
Thiol separation (Å)
9
Half-sphere exposure sum ?
59
Minimum pKa ?
10
% buried
42
Peptide accession
P49916
Residue number A
94
Residue number B
117
Peptide name
DNA ligase 3

Ligandability

Cysteine 94 of DNA ligase 3

Cysteine 117 of DNA ligase 3

A redox-regulated disulphide may form within DNA ligase 3 between cysteines 404 and 411 (317 and 324 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
3l2p
Structure name
human dna ligase iii recognizes dna ends by dynamic switching between two dna bound states
Structure deposition date
2009-12-15
Thiol separation (Å)
9
Half-sphere exposure sum ?
76
Minimum pKa ?
12
% buried
90
Peptide accession
P49916
Residue number A
404
Residue number B
411
Peptide name
DNA ligase 3

Ligandability

Cysteine 404 of DNA ligase 3

Cysteine 411 of DNA ligase 3

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