DNA ligase 4
Intermolecular
Cysteine 137 and cysteine 137
Cysteine 165 of DNA repair protein XRCC4 and cysteine 901
Intramolecular
Cysteine 363 and cysteine 365
Cysteine 699 and cysteine 729
Cysteine 699 and cysteine 747
Cysteine 665 and cysteine 699
Cysteine 485 and cysteine 593
Cysteine 485 and cysteine 510
4htp A 137 B 137
A redox-regulated disulphide may form between two units of DNA ligase 4 at cysteines 137 and 137.
Details
Redox score ?
83
PDB code
4htp
Structure name
crystal structure of the dbd domain of human dna ligase iv bound to artemis peptide
Structure deposition date
2012-11-01
Thiol separation (Å)
2
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide A name
DNA ligase 4
Peptide B name
DNA ligase 4
Peptide A accession
P49917
Peptide B accession
P49917
Peptide A residue number
137
Peptide B residue number
137
Ligandability
7lt3 P 165 Y 901
A redox-regulated disulphide may form between cysteine 165 of DNA repair protein XRCC4 and cysteine 901 of DNA ligase 4. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
40
PDB code
7lt3
Structure name
nhej long-range synaptic complex
Structure deposition date
2021-02-18
Thiol separation (Å)
10
Half-sphere exposure sum ?
57
Minimum pKa ?
10
% buried
46
Peptide A name
DNA repair protein XRCC4
Peptide B name
DNA ligase 4
Peptide A accession
Q13426
Peptide B accession
P49917
Peptide A residue number
165
Peptide B residue number
901
Ligandability
Cysteine 165 of DNA repair protein XRCC4
Cysteine 901 of DNA ligase 4
3w1g A 363 A 365
A redox-regulated disulphide may form within DNA ligase 4 between cysteines 363 and 365.
Details
Redox score ?
65
PDB code
3w1g
Structure name
crystal structure of human dna ligase iv-artemis complex (native)
Structure deposition date
2012-11-15
Thiol separation (Å)
4
Half-sphere exposure sum ?
80
Minimum pKa ?
10
% buried
93
Peptide accession
P49917
Residue number A
363
Residue number B
365
Peptide name
DNA ligase 4
Ligandability
Cysteine 363 of DNA ligase 4
Cysteine 365 of DNA ligase 4
3ii6 Y 699 Y 729
A redox-regulated disulphide may form within DNA ligase 4 between cysteines 699 and 729. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
39
PDB code
3ii6
Structure name
structure of human xrcc4 in complex with the tandem brct domains of dna ligaseiv
Structure deposition date
2009-07-31
Thiol separation (Å)
9
Half-sphere exposure sum ?
66
Minimum pKa ?
11
% buried
76
Peptide accession
P49917
Residue number A
699
Residue number B
729
Peptide name
DNA ligase 4
Ligandability
Cysteine 699 of DNA ligase 4
Cysteine 729 of DNA ligase 4
2e2w A 53 A 101
A redox-regulated disulphide may form within DNA ligase 4 between cysteines 699 and 747 (53 and 101 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
37
PDB code
2e2w
Structure name
solution structure of the first brct domain of human dna ligase iv
Structure deposition date
2006-11-17
Thiol separation (Å)
10
Half-sphere exposure sum ?
57
Minimum pKa ?
9
% buried
48
Peptide accession
P49917
Residue number A
699
Residue number B
747
Peptide name
DNA ligase 4
Ligandability
Cysteine 699 of DNA ligase 4
Cysteine 747 of DNA ligase 4
3ii6 X 665 X 699
A redox-regulated disulphide may form within DNA ligase 4 between cysteines 665 and 699. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
32
PDB code
3ii6
Structure name
structure of human xrcc4 in complex with the tandem brct domains of dna ligaseiv
Structure deposition date
2009-07-31
Thiol separation (Å)
9
Half-sphere exposure sum ?
79
Minimum pKa ?
11
% buried
78
Peptide accession
P49917
Residue number A
665
Residue number B
699
Peptide name
DNA ligase 4
Ligandability
Cysteine 665 of DNA ligase 4
Cysteine 699 of DNA ligase 4
3w1b A 485 A 593
A redox-regulated disulphide may form within DNA ligase 4 between cysteines 485 and 593. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
32
PDB code
3w1b
Structure name
crystal structure of human dna ligase iv-artemis complex (mercury derivative)
Structure deposition date
2012-11-14
Thiol separation (Å)
9
Half-sphere exposure sum ?
90
Minimum pKa ?
12
% buried
100
Peptide accession
P49917
Residue number A
485
Residue number B
593
Peptide name
DNA ligase 4
Ligandability
Cysteine 485 of DNA ligase 4
Cysteine 593 of DNA ligase 4
6bkg A 485 A 510
A redox-regulated disulphide may form within DNA ligase 4 between cysteines 485 and 510. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
29
PDB code
6bkg
Structure name
human ligiv catalytic domain with bound dna-adenylate intermediate in closed conformation
Structure deposition date
2017-11-08
Thiol separation (Å)
10
Half-sphere exposure sum ?
73
Minimum pKa ?
12
% buried
98
Peptide accession
P49917
Residue number A
485
Residue number B
510
Peptide name
DNA ligase 4
Ligandability
Cysteine 485 of DNA ligase 4
Cysteine 510 of DNA ligase 4
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