ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Actin-related protein 2/3 complex subunit 1B

Intermolecular
Cysteine 265 and cysteine 21 of Actin-related protein 2/3 complex subunit 4
Intramolecular
Cysteine 123 and cysteine 134
Cysteine 13 and cysteine 26
Cysteine 13 and cysteine 101
Cysteine 70 and cysteine 101
Cysteine 166 and cysteine 202
Cysteine 342 and cysteine 346
Cysteine 13 and cysteine 70
Cysteine 26 and cysteine 70
Cysteine 209 and cysteine 342
More...
Cysteine 166 and cysteine 227
Cysteine 202 and cysteine 227
Cysteine 70 and cysteine 123
A redox-regulated disulphide may form between cysteine 265 of Actin-related protein 2/3 complex subunit 1B and cysteine 21 of Actin-related protein 2/3 complex subunit 4. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
2p9n
Structure name
crystal structure of bovine arp2/3 complex co-crystallized with adp
Structure deposition date
2007-03-26
Thiol separation (Å)
9
Half-sphere exposure sum ?
91
Minimum pKa ?
11
% buried
100
Peptide A name
Actin-related protein 2/3 complex subunit 1B
Peptide B name
Actin-related protein 2/3 complex subunit 4
Peptide A accession
Q58CQ2
Peptide B accession
Q148J6
Peptide A residue number
265
Peptide B residue number
21

Ligandability

Cysteine 265 of Actin-related protein 2/3 complex subunit 1B

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 21 of Actin-related protein 2/3 complex subunit 4

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 Actin-related protein 2/3 complex subunit 1B between cysteines 123 and 134.

Details

Redox score ?
78
PDB code
4xf2
Structure name
tetragonal structure of arp2/3 complex
Structure deposition date
2014-12-25
Thiol separation (Å)
3
Half-sphere exposure sum ?
58
Minimum pKa ?
8
% buried
92
Peptide accession
Q58CQ2
Residue number A
123
Residue number B
134
Peptide name
Actin-related protein 2/3 complex subunit 1B

Ligandability

Cysteine 123 of Actin-related protein 2/3 complex subunit 1B

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 134 of Actin-related protein 2/3 complex subunit 1B

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 Actin-related protein 2/3 complex subunit 1B between cysteines 13 and 26.

Details

Redox score ?
62
PDB code
3dxm
Structure name
structure of bos taurus arp2/3 complex with bound inhibitor ck0993548
Structure deposition date
2008-07-24
Thiol separation (Å)
5
Half-sphere exposure sum ?
89
Minimum pKa ?
7
% buried
98
Peptide accession
Q58CQ2
Residue number A
13
Residue number B
26
Peptide name
Actin-related protein 2/3 complex subunit 1B

Ligandability

Cysteine 13 of Actin-related protein 2/3 complex subunit 1B

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 26 of Actin-related protein 2/3 complex subunit 1B

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 Actin-related protein 2/3 complex subunit 1B between cysteines 13 and 101. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
4xf2
Structure name
tetragonal structure of arp2/3 complex
Structure deposition date
2014-12-25
Thiol separation (Å)
6
Half-sphere exposure sum ?
90
Minimum pKa ?
10
% buried
100
Peptide accession
Q58CQ2
Residue number A
13
Residue number B
101
Peptide name
Actin-related protein 2/3 complex subunit 1B

Ligandability

Cysteine 13 of Actin-related protein 2/3 complex subunit 1B

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 101 of Actin-related protein 2/3 complex subunit 1B

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 Actin-related protein 2/3 complex subunit 1B between cysteines 70 and 101. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
6uhc
Structure name
cryoem structure of human arp2/3 complex with bound npfs
Structure deposition date
2019-09-27
Thiol separation (Å)
6
Half-sphere exposure sum ?
97
Minimum pKa ?
11
% buried
100
Peptide accession
O15143
Residue number A
70
Residue number B
101
Peptide name
Actin-related protein 2/3 complex subunit 1B

Ligandability

Cysteine 70 of Actin-related protein 2/3 complex subunit 1B

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 101 of Actin-related protein 2/3 complex subunit 1B

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 Actin-related protein 2/3 complex subunit 1B between cysteines 166 and 202. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
4xei
Structure name
orthorhombic isomorph of bovine arp2/3 complex
Structure deposition date
2014-12-23
Thiol separation (Å)
9
Half-sphere exposure sum ?
85
Minimum pKa ?
6
% buried
94
Peptide accession
Q58CQ2
Residue number A
166
Residue number B
202
Peptide name
Actin-related protein 2/3 complex subunit 1B

Ligandability

Cysteine 166 of Actin-related protein 2/3 complex subunit 1B

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 Actin-related protein 2/3 complex subunit 1B

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 Actin-related protein 2/3 complex subunit 1B between cysteines 342 and 346. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
4xei
Structure name
orthorhombic isomorph of bovine arp2/3 complex
Structure deposition date
2014-12-23
Thiol separation (Å)
9
Half-sphere exposure sum ?
66
Minimum pKa ?
11
% buried
78
Peptide accession
Q58CQ2
Residue number A
342
Residue number B
346
Peptide name
Actin-related protein 2/3 complex subunit 1B

Ligandability

Cysteine 342 of Actin-related protein 2/3 complex subunit 1B

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 346 of Actin-related protein 2/3 complex subunit 1B

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 Actin-related protein 2/3 complex subunit 1B between cysteines 13 and 70. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
6uhc
Structure name
cryoem structure of human arp2/3 complex with bound npfs
Structure deposition date
2019-09-27
Thiol separation (Å)
7
Half-sphere exposure sum ?
98
Minimum pKa ?
13
% buried
100
Peptide accession
O15143
Residue number A
13
Residue number B
70
Peptide name
Actin-related protein 2/3 complex subunit 1B

Ligandability

Cysteine 13 of Actin-related protein 2/3 complex subunit 1B

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 70 of Actin-related protein 2/3 complex subunit 1B

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 Actin-related protein 2/3 complex subunit 1B between cysteines 26 and 70. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
3dxk
Structure name
structure of bos taurus arp2/3 complex with bound inhibitor ck0944636
Structure deposition date
2008-07-24
Thiol separation (Å)
10
Half-sphere exposure sum ?
90
Minimum pKa ?
7
% buried
98
Peptide accession
Q58CQ2
Residue number A
26
Residue number B
70
Peptide name
Actin-related protein 2/3 complex subunit 1B

Ligandability

Cysteine 26 of Actin-related protein 2/3 complex subunit 1B

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 70 of Actin-related protein 2/3 complex subunit 1B

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 Actin-related protein 2/3 complex subunit 1B between cysteines 209 and 342. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
7jpn
Structure name
cryo-em structure of arpin-bound arp2/3 complex
Structure deposition date
2020-08-09
Thiol separation (Å)
10
Half-sphere exposure sum ?
76
Minimum pKa ?
11
% buried
80
Peptide accession
Q58CQ2
Residue number A
209
Residue number B
342
Peptide name
Actin-related protein 2/3 complex subunit 1B

Ligandability

Cysteine 209 of Actin-related protein 2/3 complex subunit 1B

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 342 of Actin-related protein 2/3 complex subunit 1B

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 Actin-related protein 2/3 complex subunit 1B between cysteines 166 and 227. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
30
PDB code
4jd2
Structure name
crystal structure of bos taurus arp2/3 complex binding with mus musculus gmf
Structure deposition date
2013-02-22
Thiol separation (Å)
9
Half-sphere exposure sum ?
97
Minimum pKa ?
12
% buried
100
Peptide accession
Q58CQ2
Residue number A
166
Residue number B
227
Peptide name
Actin-related protein 2/3 complex subunit 1B

Ligandability

Cysteine 166 of Actin-related protein 2/3 complex subunit 1B

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 Actin-related protein 2/3 complex subunit 1B

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 Actin-related protein 2/3 complex subunit 1B between cysteines 202 and 227. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
26
PDB code
4jd2
Structure name
crystal structure of bos taurus arp2/3 complex binding with mus musculus gmf
Structure deposition date
2013-02-22
Thiol separation (Å)
10
Half-sphere exposure sum ?
83
Minimum pKa ?
12
% buried
96
Peptide accession
Q58CQ2
Residue number A
202
Residue number B
227
Peptide name
Actin-related protein 2/3 complex subunit 1B

Ligandability

Cysteine 202 of Actin-related protein 2/3 complex subunit 1B

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 Actin-related protein 2/3 complex subunit 1B

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 Actin-related protein 2/3 complex subunit 1B between cysteines 70 and 123. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
24
PDB code
2p9k
Structure name
crystal structure of bovine arp2/3 complex co-crystallized with atp and crosslinked with glutaraldehyde
Structure deposition date
2007-03-26
Thiol separation (Å)
10
Half-sphere exposure sum ?
88
Minimum pKa ?
13
% buried
100
Peptide accession
Q58CQ2
Residue number A
70
Residue number B
123
Peptide name
Actin-related protein 2/3 complex subunit 1B

Ligandability

Cysteine 70 of Actin-related protein 2/3 complex subunit 1B

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 123 of Actin-related protein 2/3 complex subunit 1B

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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