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E3 ubiquitin-protein ligase XIAP

Intermolecular
Cysteine 351 and cysteine 351
Intramolecular
Cysteine 66 and cysteine 90
Cysteine 63 and cysteine 66
Cysteine 471 and cysteine 474
Cysteine 450 and cysteine 471
Cysteine 450 and cysteine 453
Cysteine 481 and cysteine 484
Cysteine 450 and cysteine 474
Cysteine 453 and cysteine 471
Cysteine 453 and cysteine 474
More...
Cysteine 63 and cysteine 90
Cysteine 203 and cysteine 227
Cysteine 465 and cysteine 484
Cysteine 200 and cysteine 227
Cysteine 465 and cysteine 481
Cysteine 202 and cysteine 227
Cysteine 303 and cysteine 327
Cysteine 200 and cysteine 202
Cysteine 300 and cysteine 327
Cysteine 202 and cysteine 203
Cysteine 300 and cysteine 303
Cysteine 200 and cysteine 203
Cysteine 303 and cysteine 351
A redox-regulated disulphide may form between two units of E3 ubiquitin-protein ligase XIAP at cysteines 351 and 351.

Details

Redox score ?
87
PDB code
3eyl
Structure name
crystal structure of xiap bir3 domain in complex with a smac-mimetic compound
Structure deposition date
2008-10-21
Thiol separation (Å)
3
Half-sphere exposure sum ?
36
Minimum pKa ?
9
% buried
0
Peptide A name
E3 ubiquitin-protein ligase XIAP
Peptide B name
E3 ubiquitin-protein ligase XIAP
Peptide A accession
P98170
Peptide B accession
P98170
Peptide A residue number
351
Peptide B residue number
351

Ligandability

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 E3 ubiquitin-protein ligase XIAP between cysteines 66 and 90 (3066 and 3090 respectively in this structure).

Details

Redox score ?
94
PDB code
2qra
Structure name
crystal structure of xiap bir1 domain (p21 form)
Structure deposition date
2007-07-27
Thiol separation (Å)
3
Half-sphere exposure sum ?
57
Minimum pKa ?
2
% buried
46
Peptide accession
P98170
Residue number A
66
Residue number B
90
Peptide name
E3 ubiquitin-protein ligase XIAP

Ligandability

Cysteine 66 of E3 ubiquitin-protein ligase XIAP

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 90 of E3 ubiquitin-protein ligase XIAP

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 E3 ubiquitin-protein ligase XIAP between cysteines 63 and 66.

Details

Redox score ?
93
PDB code
4oxc
Structure name
crystal structure of xiap bir1 domain
Structure deposition date
2014-02-03
Thiol separation (Å)
3
Half-sphere exposure sum ?
65
Minimum pKa ?
2
% buried
59
Peptide accession
P98170
Residue number A
63
Residue number B
66
Peptide name
E3 ubiquitin-protein ligase XIAP

Ligandability

Cysteine 63 of E3 ubiquitin-protein ligase XIAP

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 66 of E3 ubiquitin-protein ligase XIAP

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 E3 ubiquitin-protein ligase XIAP between cysteines 471 and 474.

Details

Redox score ?
87
PDB code
4ic2
Structure name
crystal structure of the xiap ring domain
Structure deposition date
2012-12-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
55
Minimum pKa ?
5
% buried
0
Peptide accession
P98170
Residue number A
471
Residue number B
474
Peptide name
E3 ubiquitin-protein ligase XIAP

Ligandability

Cysteine 471 of E3 ubiquitin-protein ligase XIAP

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 474 of E3 ubiquitin-protein ligase XIAP

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 E3 ubiquitin-protein ligase XIAP between cysteines 450 and 471.

Details

Redox score ?
86
PDB code
4ic2
Structure name
crystal structure of the xiap ring domain
Structure deposition date
2012-12-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
56
Minimum pKa ?
5
% buried
5
Peptide accession
P98170
Residue number A
450
Residue number B
471
Peptide name
E3 ubiquitin-protein ligase XIAP

Ligandability

Cysteine 450 of E3 ubiquitin-protein ligase XIAP

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 471 of E3 ubiquitin-protein ligase XIAP

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 E3 ubiquitin-protein ligase XIAP between cysteines 450 and 453.

Details

Redox score ?
85
PDB code
4ic2
Structure name
crystal structure of the xiap ring domain
Structure deposition date
2012-12-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
45
Minimum pKa ?
7
% buried
5
Peptide accession
P98170
Residue number A
450
Residue number B
453
Peptide name
E3 ubiquitin-protein ligase XIAP

Ligandability

Cysteine 450 of E3 ubiquitin-protein ligase XIAP

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 453 of E3 ubiquitin-protein ligase XIAP

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 E3 ubiquitin-protein ligase XIAP between cysteines 481 and 484.

Details

Redox score ?
85
PDB code
4ic3
Structure name
crystal structure of the f495l mutant xiap ring domain
Structure deposition date
2012-12-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
50
Minimum pKa ?
6
% buried
8
Peptide accession
P98170
Residue number A
481
Residue number B
484
Peptide name
E3 ubiquitin-protein ligase XIAP

Ligandability

Cysteine 481 of E3 ubiquitin-protein ligase XIAP

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 484 of E3 ubiquitin-protein ligase XIAP

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 E3 ubiquitin-protein ligase XIAP between cysteines 450 and 474.

Details

Redox score ?
83
PDB code
5o6t
Structure name
birc4 ring in complex with dimeric ubiquitin variant
Structure deposition date
2017-06-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
52
Minimum pKa ?
7
% buried
8
Peptide accession
P98170
Residue number A
450
Residue number B
474
Peptide name
E3 ubiquitin-protein ligase XIAP

Ligandability

Cysteine 450 of E3 ubiquitin-protein ligase XIAP

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 474 of E3 ubiquitin-protein ligase XIAP

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 E3 ubiquitin-protein ligase XIAP between cysteines 453 and 471.

Details

Redox score ?
80
PDB code
4ic2
Structure name
crystal structure of the xiap ring domain
Structure deposition date
2012-12-09
Thiol separation (Å)
4
Half-sphere exposure sum ?
49
Minimum pKa ?
7
% buried
1
Peptide accession
P98170
Residue number A
453
Residue number B
471
Peptide name
E3 ubiquitin-protein ligase XIAP

Ligandability

Cysteine 453 of E3 ubiquitin-protein ligase XIAP

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 471 of E3 ubiquitin-protein ligase XIAP

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 E3 ubiquitin-protein ligase XIAP between cysteines 453 and 474.

Details

Redox score ?
79
PDB code
5o6t
Structure name
birc4 ring in complex with dimeric ubiquitin variant
Structure deposition date
2017-06-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
45
Minimum pKa ?
9
% buried
0
Peptide accession
P98170
Residue number A
453
Residue number B
474
Peptide name
E3 ubiquitin-protein ligase XIAP

Ligandability

Cysteine 453 of E3 ubiquitin-protein ligase XIAP

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 474 of E3 ubiquitin-protein ligase XIAP

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 E3 ubiquitin-protein ligase XIAP between cysteines 63 and 90.

Details

Redox score ?
78
PDB code
4oxc
Structure name
crystal structure of xiap bir1 domain
Structure deposition date
2014-02-03
Thiol separation (Å)
4
Half-sphere exposure sum ?
62
Minimum pKa ?
8
% buried
50
Peptide accession
P98170
Residue number A
63
Residue number B
90
Peptide name
E3 ubiquitin-protein ligase XIAP

Ligandability

Cysteine 63 of E3 ubiquitin-protein ligase XIAP

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 90 of E3 ubiquitin-protein ligase XIAP

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 E3 ubiquitin-protein ligase XIAP between cysteines 203 and 227.

Details

Redox score ?
77
PDB code
4wvs
Structure name
crystal structure of xiap-bir2 domain complexed with (s)-3-(4- methoxyphenyl)-2-((s)-2-((s)-1-((s)-2-((s)-2-(methylamino) propanamido)pent-4-ynoyl)pyrrolidine-2-carboxamido)-3- phenylpropanamido)propanoic acid
Structure deposition date
2014-11-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
60
Minimum pKa ?
9
% buried
44
Peptide accession
P98170
Residue number A
203
Residue number B
227
Peptide name
E3 ubiquitin-protein ligase XIAP

Ligandability

Cysteine 203 of E3 ubiquitin-protein ligase XIAP

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 227 of E3 ubiquitin-protein ligase XIAP

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 E3 ubiquitin-protein ligase XIAP between cysteines 465 and 484.

Details

Redox score ?
77
PDB code
5o6t
Structure name
birc4 ring in complex with dimeric ubiquitin variant
Structure deposition date
2017-06-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
61
Minimum pKa ?
7
% buried
47
Peptide accession
P98170
Residue number A
465
Residue number B
484
Peptide name
E3 ubiquitin-protein ligase XIAP

Ligandability

Cysteine 465 of E3 ubiquitin-protein ligase XIAP

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 484 of E3 ubiquitin-protein ligase XIAP

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 E3 ubiquitin-protein ligase XIAP between cysteines 200 and 227.

Details

Redox score ?
75
PDB code
4wvt
Structure name
crystal structure of xiap-bir2 domain complexed with ligand bound
Structure deposition date
2014-11-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
72
Minimum pKa ?
9
% buried
52
Peptide accession
P98170
Residue number A
200
Residue number B
227
Peptide name
E3 ubiquitin-protein ligase XIAP

Ligandability

Cysteine 200 of E3 ubiquitin-protein ligase XIAP

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 227 of E3 ubiquitin-protein ligase XIAP

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 E3 ubiquitin-protein ligase XIAP between cysteines 465 and 481.

Details

Redox score ?
73
PDB code
5o6t
Structure name
birc4 ring in complex with dimeric ubiquitin variant
Structure deposition date
2017-06-07
Thiol separation (Å)
4
Half-sphere exposure sum ?
71
Minimum pKa ?
9
% buried
52
Peptide accession
P98170
Residue number A
465
Residue number B
481
Peptide name
E3 ubiquitin-protein ligase XIAP

Ligandability

Cysteine 465 of E3 ubiquitin-protein ligase XIAP

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 481 of E3 ubiquitin-protein ligase XIAP

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 E3 ubiquitin-protein ligase XIAP between cysteines 202 and 227.

Details

Redox score ?
73
PDB code
8aza
Structure name
structure of rip2k dimer bound to the xiap bir2 domain
Structure deposition date
2022-09-05
Thiol separation (Å)
5
Half-sphere exposure sum ?
49
Minimum pKa ?
9
% buried
16
Peptide accession
P98170
Residue number A
202
Residue number B
227
Peptide name
E3 ubiquitin-protein ligase XIAP

Ligandability

Cysteine 202 of E3 ubiquitin-protein ligase XIAP

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 227 of E3 ubiquitin-protein ligase XIAP

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 E3 ubiquitin-protein ligase XIAP between cysteines 303 and 327.

Details

Redox score ?
72
PDB code
2jk7
Structure name
xiap bir3 bound to a smac mimetic
Structure deposition date
2008-08-21
Thiol separation (Å)
4
Half-sphere exposure sum ?
73
Minimum pKa ?
10
% buried
76
Peptide accession
P98170
Residue number A
303
Residue number B
327
Peptide name
E3 ubiquitin-protein ligase XIAP

Ligandability

Cysteine 303 of E3 ubiquitin-protein ligase XIAP

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 327 of E3 ubiquitin-protein ligase XIAP

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 E3 ubiquitin-protein ligase XIAP between cysteines 200 and 202.

Details

Redox score ?
72
PDB code
8aza
Structure name
structure of rip2k dimer bound to the xiap bir2 domain
Structure deposition date
2022-09-05
Thiol separation (Å)
5
Half-sphere exposure sum ?
58
Minimum pKa ?
7
% buried
24
Peptide accession
P98170
Residue number A
200
Residue number B
202
Peptide name
E3 ubiquitin-protein ligase XIAP

Ligandability

Cysteine 200 of E3 ubiquitin-protein ligase XIAP

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 202 of E3 ubiquitin-protein ligase XIAP

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 E3 ubiquitin-protein ligase XIAP between cysteines 300 and 327.

Details

Redox score ?
69
PDB code
4hy0
Structure name
crystal structure of xiap bir3 with t3256336
Structure deposition date
2012-11-12
Thiol separation (Å)
4
Half-sphere exposure sum ?
89
Minimum pKa ?
10
% buried
nan
Peptide accession
P98170
Residue number A
300
Residue number B
327
Peptide name
E3 ubiquitin-protein ligase XIAP

Ligandability

Cysteine 300 of E3 ubiquitin-protein ligase XIAP

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 327 of E3 ubiquitin-protein ligase XIAP

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 E3 ubiquitin-protein ligase XIAP between cysteines 202 and 203.

Details

Redox score ?
66
PDB code
8aza
Structure name
structure of rip2k dimer bound to the xiap bir2 domain
Structure deposition date
2022-09-05
Thiol separation (Å)
6
Half-sphere exposure sum ?
44
Minimum pKa ?
9
% buried
8
Peptide accession
P98170
Residue number A
202
Residue number B
203
Peptide name
E3 ubiquitin-protein ligase XIAP

Ligandability

Cysteine 202 of E3 ubiquitin-protein ligase XIAP

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 203 of E3 ubiquitin-protein ligase XIAP

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 E3 ubiquitin-protein ligase XIAP between cysteines 300 and 303. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
5m6h
Structure name
small molecule inhibitors of iap
Structure deposition date
2016-10-25
Thiol separation (Å)
4
Half-sphere exposure sum ?
82
Minimum pKa ?
18
% buried
nan
Peptide accession
P98170
Residue number A
300
Residue number B
303
Peptide name
E3 ubiquitin-protein ligase XIAP

Ligandability

Cysteine 300 of E3 ubiquitin-protein ligase XIAP

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 303 of E3 ubiquitin-protein ligase XIAP

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 E3 ubiquitin-protein ligase XIAP between cysteines 200 and 203. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
4j3y
Structure name
crystal structure of xiap-bir2 domain
Structure deposition date
2013-02-06
Thiol separation (Å)
4
Half-sphere exposure sum ?
74
Minimum pKa ?
18
% buried
nan
Peptide accession
P98170
Residue number A
200
Residue number B
203
Peptide name
E3 ubiquitin-protein ligase XIAP

Ligandability

Cysteine 200 of E3 ubiquitin-protein ligase XIAP

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 203 of E3 ubiquitin-protein ligase XIAP

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 E3 ubiquitin-protein ligase XIAP between cysteines 303 and 351. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
3g76
Structure name
crystal structure of xiap-bir3 in complex with a bivalent compound
Structure deposition date
2009-02-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
47
Minimum pKa ?
10
% buried
60
Peptide accession
P98170
Residue number A
303
Residue number B
351
Peptide name
E3 ubiquitin-protein ligase XIAP

Ligandability

Cysteine 303 of E3 ubiquitin-protein ligase XIAP

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 351 of E3 ubiquitin-protein ligase XIAP

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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