Baculoviral IAP repeat-containing protein 2
Intermolecular
Cysteine 315 and cysteine 315
Cysteine 481 of Tyrosine-protein kinase BTK and cysteine 315 L
Cysteine 86 and cysteine 86
Intramolecular
Cysteine 309 and cysteine 333
Cysteine 83 and cysteine 110
Cysteine 308 and cysteine 333
Cysteine 83 and cysteine 86
Cysteine 85 and cysteine 110
Cysteine 223 and cysteine 247
Cysteine 86 and cysteine 110
More...Cysteine 83 and cysteine 85
Cysteine 571 and cysteine 574
Cysteine 220 and cysteine 247
Cysteine 574 and cysteine 592
Cysteine 571 and cysteine 595
Cysteine 592 and cysteine 595
Cysteine 571 and cysteine 592
Cysteine 574 and cysteine 595
Cysteine 602 and cysteine 605
Cysteine 586 and cysteine 602
Cysteine 220 and cysteine 223
Cysteine 306 and cysteine 308
Cysteine 85 and cysteine 86
Cysteine 306 and cysteine 309
Cysteine 308 and cysteine 309
Cysteine 306 and cysteine 333
Cysteine 586 and cysteine 605
Cysteine 474 and cysteine 527
6exw A 309 C 309
A redox-regulated disulphide may form between two units of Baculoviral IAP repeat-containing protein 2 at cysteines 315 and 315 (309 and 309 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
6exw
Structure name
crystal structure of ciap1-bir3 in complex with a covalently bound sm
Structure deposition date
2017-11-10
Thiol separation (Å)
6
Half-sphere exposure sum ?
41
Minimum pKa ?
12
% buried
68
Peptide A name
Baculoviral IAP repeat-containing protein 2
Peptide B name
Baculoviral IAP repeat-containing protein 2
Peptide A accession
Q13490
Peptide B accession
Q13490
Peptide A residue number
315
Peptide B residue number
315
Ligandability
6w7o B 481 D 315
A redox-regulated disulphide may form between cysteine 481 of Tyrosine-protein kinase BTK and cysteine 315 of Baculoviral IAP repeat-containing protein 2. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
48
PDB code
6w7o
Structure name
ternary complex structure - btk ciap compound 17
Structure deposition date
2020-03-19
Thiol separation (Å)
7
Half-sphere exposure sum ?
63
Minimum pKa ?
11
% buried
100
Peptide A name
Tyrosine-protein kinase BTK
Peptide B name
Baculoviral IAP repeat-containing protein 2
Peptide A accession
Q06187
Peptide B accession
Q13490
Peptide A residue number
481
Peptide B residue number
315
Ligandability
Cysteine 481 of Tyrosine-protein kinase BTK
Cysteine 315 of Baculoviral IAP repeat-containing protein 2
3m1d A 86 B 86
A redox-regulated disulphide may form between two units of Baculoviral IAP repeat-containing protein 2 at cysteines 86 and 86. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
22
PDB code
3m1d
Structure name
structure of bir1 from ciap1
Structure deposition date
2010-03-04
Thiol separation (Å)
10
Half-sphere exposure sum ?
61
Minimum pKa ?
18
% buried
64
Peptide A name
Baculoviral IAP repeat-containing protein 2
Peptide B name
Baculoviral IAP repeat-containing protein 2
Peptide A accession
Q13490
Peptide B accession
Q13490
Peptide A residue number
86
Peptide B residue number
86
Ligandability
4eb9 D 303 D 327
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 2 between cysteines 309 and 333 (303 and 327 respectively in this structure).
Details
Redox score ?
92
PDB code
4eb9
Structure name
ciap1-bir3 in complex with a divalent smac mimetic
Structure deposition date
2012-03-23
Thiol separation (Å)
4
Half-sphere exposure sum ?
59
Minimum pKa ?
1
% buried
74
Peptide accession
Q13490
Residue number A
309
Residue number B
333
Peptide name
Baculoviral IAP repeat-containing protein 2
Ligandability
Cysteine 309 of Baculoviral IAP repeat-containing protein 2
Cysteine 333 of Baculoviral IAP repeat-containing protein 2
3m1d B 83 B 110
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 2 between cysteines 83 and 110.
Details
Redox score ?
91
PDB code
3m1d
Structure name
structure of bir1 from ciap1
Structure deposition date
2010-03-04
Thiol separation (Å)
4
Half-sphere exposure sum ?
63
Minimum pKa ?
2
% buried
60
Peptide accession
Q13490
Residue number A
83
Residue number B
110
Peptide name
Baculoviral IAP repeat-containing protein 2
Ligandability
Cysteine 83 of Baculoviral IAP repeat-containing protein 2
Cysteine 110 of Baculoviral IAP repeat-containing protein 2
6w8i E 308 E 333
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 2 between cysteines 308 and 333.
Details
Redox score ?
89
PDB code
6w8i
Structure name
ternary complex structure - btk ciap compound 15
Structure deposition date
2020-03-20
Thiol separation (Å)
4
Half-sphere exposure sum ?
61
Minimum pKa ?
1
% buried
42
Peptide accession
Q13490
Residue number A
308
Residue number B
333
Peptide name
Baculoviral IAP repeat-containing protein 2
Ligandability
Cysteine 308 of Baculoviral IAP repeat-containing protein 2
Cysteine 333 of Baculoviral IAP repeat-containing protein 2
3m1d B 83 B 86
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 2 between cysteines 83 and 86.
Details
Redox score ?
88
PDB code
3m1d
Structure name
structure of bir1 from ciap1
Structure deposition date
2010-03-04
Thiol separation (Å)
4
Half-sphere exposure sum ?
67
Minimum pKa ?
2
% buried
70
Peptide accession
Q13490
Residue number A
83
Residue number B
86
Peptide name
Baculoviral IAP repeat-containing protein 2
Ligandability
Cysteine 83 of Baculoviral IAP repeat-containing protein 2
Cysteine 86 of Baculoviral IAP repeat-containing protein 2
3m1d A 85 A 110
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 2 between cysteines 85 and 110.
Details
Redox score ?
84
PDB code
3m1d
Structure name
structure of bir1 from ciap1
Structure deposition date
2010-03-04
Thiol separation (Å)
4
Half-sphere exposure sum ?
52
Minimum pKa ?
7
% buried
34
Peptide accession
Q13490
Residue number A
85
Residue number B
110
Peptide name
Baculoviral IAP repeat-containing protein 2
Ligandability
Cysteine 85 of Baculoviral IAP repeat-containing protein 2
Cysteine 110 of Baculoviral IAP repeat-containing protein 2
7qgj B 223 B 247
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 2 between cysteines 223 and 247.
Details
Redox score ?
82
PDB code
7qgj
Structure name
apo structure of bir2 domain of birc2
Structure deposition date
2021-12-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
51
Minimum pKa ?
7
% buried
22
Peptide accession
Q13490
Residue number A
223
Residue number B
247
Peptide name
Baculoviral IAP repeat-containing protein 2
Ligandability
Cysteine 223 of Baculoviral IAP repeat-containing protein 2
Cysteine 247 of Baculoviral IAP repeat-containing protein 2
3m1d A 86 A 110
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 2 between cysteines 86 and 110.
Details
Redox score ?
82
PDB code
3m1d
Structure name
structure of bir1 from ciap1
Structure deposition date
2010-03-04
Thiol separation (Å)
4
Half-sphere exposure sum ?
58
Minimum pKa ?
7
% buried
54
Peptide accession
Q13490
Residue number A
86
Residue number B
110
Peptide name
Baculoviral IAP repeat-containing protein 2
Ligandability
Cysteine 86 of Baculoviral IAP repeat-containing protein 2
Cysteine 110 of Baculoviral IAP repeat-containing protein 2
3m1d B 83 B 85
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 2 between cysteines 83 and 85.
Details
Redox score ?
81
PDB code
3m1d
Structure name
structure of bir1 from ciap1
Structure deposition date
2010-03-04
Thiol separation (Å)
5
Half-sphere exposure sum ?
64
Minimum pKa ?
2
% buried
50
Peptide accession
Q13490
Residue number A
83
Residue number B
85
Peptide name
Baculoviral IAP repeat-containing protein 2
Ligandability
Cysteine 83 of Baculoviral IAP repeat-containing protein 2
Cysteine 85 of Baculoviral IAP repeat-containing protein 2
6hpr A 571 A 574
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 2 between cysteines 571 and 574.
Details
Redox score ?
80
PDB code
6hpr
Structure name
crystal structure of ciap1 ring domain bound to ubch5b-ub and a non- covalent ub
Structure deposition date
2018-09-21
Thiol separation (Å)
4
Half-sphere exposure sum ?
66
Minimum pKa ?
6
% buried
41
Peptide accession
Q13490
Residue number A
571
Residue number B
574
Peptide name
Baculoviral IAP repeat-containing protein 2
Ligandability
Cysteine 571 of Baculoviral IAP repeat-containing protein 2
Cysteine 574 of Baculoviral IAP repeat-containing protein 2
7qgj A 220 A 247
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 2 between cysteines 220 and 247.
Details
Redox score ?
80
PDB code
7qgj
Structure name
apo structure of bir2 domain of birc2
Structure deposition date
2021-12-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
64
Minimum pKa ?
7
% buried
46
Peptide accession
Q13490
Residue number A
220
Residue number B
247
Peptide name
Baculoviral IAP repeat-containing protein 2
Ligandability
Cysteine 220 of Baculoviral IAP repeat-containing protein 2
Cysteine 247 of Baculoviral IAP repeat-containing protein 2
3t6p A 574 A 592
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 2 between cysteines 574 and 592.
Details
Redox score ?
79
PDB code
3t6p
Structure name
iap antagonist-induced conformational change in ciap1 promotes e3 ligase activation via dimerization
Structure deposition date
2011-07-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
53
Minimum pKa ?
6
% buried
22
Peptide accession
Q13490
Residue number A
574
Residue number B
592
Peptide name
Baculoviral IAP repeat-containing protein 2
Ligandability
Cysteine 574 of Baculoviral IAP repeat-containing protein 2
Cysteine 592 of Baculoviral IAP repeat-containing protein 2
3t6p A 571 A 595
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 2 between cysteines 571 and 595.
Details
Redox score ?
78
PDB code
3t6p
Structure name
iap antagonist-induced conformational change in ciap1 promotes e3 ligase activation via dimerization
Structure deposition date
2011-07-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
57
Minimum pKa ?
8
% buried
36
Peptide accession
Q13490
Residue number A
571
Residue number B
595
Peptide name
Baculoviral IAP repeat-containing protein 2
Ligandability
Cysteine 571 of Baculoviral IAP repeat-containing protein 2
Cysteine 595 of Baculoviral IAP repeat-containing protein 2
6hpr A 592 A 595
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 2 between cysteines 592 and 595.
Details
Redox score ?
78
PDB code
6hpr
Structure name
crystal structure of ciap1 ring domain bound to ubch5b-ub and a non- covalent ub
Structure deposition date
2018-09-21
Thiol separation (Å)
4
Half-sphere exposure sum ?
60
Minimum pKa ?
8
% buried
32
Peptide accession
Q13490
Residue number A
592
Residue number B
595
Peptide name
Baculoviral IAP repeat-containing protein 2
Ligandability
Cysteine 592 of Baculoviral IAP repeat-containing protein 2
Cysteine 595 of Baculoviral IAP repeat-containing protein 2
3t6p A 571 A 592
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 2 between cysteines 571 and 592.
Details
Redox score ?
75
PDB code
3t6p
Structure name
iap antagonist-induced conformational change in ciap1 promotes e3 ligase activation via dimerization
Structure deposition date
2011-07-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
65
Minimum pKa ?
8
% buried
40
Peptide accession
Q13490
Residue number A
571
Residue number B
592
Peptide name
Baculoviral IAP repeat-containing protein 2
Ligandability
Cysteine 571 of Baculoviral IAP repeat-containing protein 2
Cysteine 592 of Baculoviral IAP repeat-containing protein 2
6hpr A 574 A 595
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 2 between cysteines 574 and 595.
Details
Redox score ?
74
PDB code
6hpr
Structure name
crystal structure of ciap1 ring domain bound to ubch5b-ub and a non- covalent ub
Structure deposition date
2018-09-21
Thiol separation (Å)
4
Half-sphere exposure sum ?
63
Minimum pKa ?
9
% buried
34
Peptide accession
Q13490
Residue number A
574
Residue number B
595
Peptide name
Baculoviral IAP repeat-containing protein 2
Ligandability
Cysteine 574 of Baculoviral IAP repeat-containing protein 2
Cysteine 595 of Baculoviral IAP repeat-containing protein 2
3t6p A 602 A 605
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 2 between cysteines 602 and 605.
Details
Redox score ?
74
PDB code
3t6p
Structure name
iap antagonist-induced conformational change in ciap1 promotes e3 ligase activation via dimerization
Structure deposition date
2011-07-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
61
Minimum pKa ?
9
% buried
nan
Peptide accession
Q13490
Residue number A
602
Residue number B
605
Peptide name
Baculoviral IAP repeat-containing protein 2
Ligandability
Cysteine 602 of Baculoviral IAP repeat-containing protein 2
Cysteine 605 of Baculoviral IAP repeat-containing protein 2
6hpr A 586 A 602
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 2 between cysteines 586 and 602.
Details
Redox score ?
72
PDB code
6hpr
Structure name
crystal structure of ciap1 ring domain bound to ubch5b-ub and a non- covalent ub
Structure deposition date
2018-09-21
Thiol separation (Å)
4
Half-sphere exposure sum ?
67
Minimum pKa ?
9
% buried
56
Peptide accession
Q13490
Residue number A
586
Residue number B
602
Peptide name
Baculoviral IAP repeat-containing protein 2
Ligandability
Cysteine 586 of Baculoviral IAP repeat-containing protein 2
Cysteine 602 of Baculoviral IAP repeat-containing protein 2
7qgj B 220 B 223
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 2 between cysteines 220 and 223.
Details
Redox score ?
72
PDB code
7qgj
Structure name
apo structure of bir2 domain of birc2
Structure deposition date
2021-12-08
Thiol separation (Å)
4
Half-sphere exposure sum ?
70
Minimum pKa ?
9
% buried
42
Peptide accession
Q13490
Residue number A
220
Residue number B
223
Peptide name
Baculoviral IAP repeat-containing protein 2
Ligandability
Cysteine 220 of Baculoviral IAP repeat-containing protein 2
Cysteine 223 of Baculoviral IAP repeat-containing protein 2
3mup B 300 B 302
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 2 between cysteines 306 and 308 (300 and 302 respectively in this structure).
Details
Redox score ?
64
PDB code
3mup
Structure name
ciap1-bir3 domain in complex with the smac-mimetic compound smac037
Structure deposition date
2010-05-03
Thiol separation (Å)
5
Half-sphere exposure sum ?
70
Minimum pKa ?
9
% buried
nan
Peptide accession
Q13490
Residue number A
306
Residue number B
308
Peptide name
Baculoviral IAP repeat-containing protein 2
Ligandability
Cysteine 306 of Baculoviral IAP repeat-containing protein 2
Cysteine 308 of Baculoviral IAP repeat-containing protein 2
3m1d B 85 B 86
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 2 between cysteines 85 and 86.
Details
Redox score ?
62
PDB code
3m1d
Structure name
structure of bir1 from ciap1
Structure deposition date
2010-03-04
Thiol separation (Å)
6
Half-sphere exposure sum ?
57
Minimum pKa ?
10
% buried
44
Peptide accession
Q13490
Residue number A
85
Residue number B
86
Peptide name
Baculoviral IAP repeat-containing protein 2
Ligandability
Cysteine 85 of Baculoviral IAP repeat-containing protein 2
Cysteine 86 of Baculoviral IAP repeat-containing protein 2
3mup B 300 B 303
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 2 between cysteines 306 and 309 (300 and 303 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
60
PDB code
3mup
Structure name
ciap1-bir3 domain in complex with the smac-mimetic compound smac037
Structure deposition date
2010-05-03
Thiol separation (Å)
4
Half-sphere exposure sum ?
73
Minimum pKa ?
14
% buried
nan
Peptide accession
Q13490
Residue number A
306
Residue number B
309
Peptide name
Baculoviral IAP repeat-containing protein 2
Ligandability
Cysteine 306 of Baculoviral IAP repeat-containing protein 2
Cysteine 309 of Baculoviral IAP repeat-containing protein 2
3oz1 B 302 B 303
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 2 between cysteines 308 and 309 (302 and 303 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
56
PDB code
3oz1
Structure name
ciap1-bir3 domain in complex with the smac-mimetic compound smac066
Structure deposition date
2010-09-24
Thiol separation (Å)
6
Half-sphere exposure sum ?
61
Minimum pKa ?
10
% buried
52
Peptide accession
Q13490
Residue number A
308
Residue number B
309
Peptide name
Baculoviral IAP repeat-containing protein 2
Ligandability
Cysteine 308 of Baculoviral IAP repeat-containing protein 2
Cysteine 309 of Baculoviral IAP repeat-containing protein 2
4eb9 B 300 B 327
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 2 between cysteines 306 and 333 (300 and 327 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
54
PDB code
4eb9
Structure name
ciap1-bir3 in complex with a divalent smac mimetic
Structure deposition date
2012-03-23
Thiol separation (Å)
3
Half-sphere exposure sum ?
76
Minimum pKa ?
19
% buried
nan
Peptide accession
Q13490
Residue number A
306
Residue number B
333
Peptide name
Baculoviral IAP repeat-containing protein 2
Ligandability
Cysteine 306 of Baculoviral IAP repeat-containing protein 2
Cysteine 333 of Baculoviral IAP repeat-containing protein 2
3t6p A 586 A 605
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 2 between cysteines 586 and 605. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
51
PDB code
3t6p
Structure name
iap antagonist-induced conformational change in ciap1 promotes e3 ligase activation via dimerization
Structure deposition date
2011-07-28
Thiol separation (Å)
4
Half-sphere exposure sum ?
61
Minimum pKa ?
18
% buried
nan
Peptide accession
Q13490
Residue number A
586
Residue number B
605
Peptide name
Baculoviral IAP repeat-containing protein 2
Ligandability
Cysteine 586 of Baculoviral IAP repeat-containing protein 2
Cysteine 605 of Baculoviral IAP repeat-containing protein 2
2l9m A 474 A 527
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 2 between cysteines 474 and 527. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?
Details
Redox score ?
40
PDB code
2l9m
Structure name
structure of ciap1 card
Structure deposition date
2011-02-21
Thiol separation (Å)
10
Half-sphere exposure sum ?
48
Minimum pKa ?
10
% buried
34
Peptide accession
Q13490
Residue number A
474
Residue number B
527
Peptide name
Baculoviral IAP repeat-containing protein 2
Ligandability
Cysteine 474 of Baculoviral IAP repeat-containing protein 2
Cysteine 527 of Baculoviral IAP repeat-containing protein 2
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