ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

ATP synthase subunit s, mitochondrial

Intermolecular
Cysteine 126 and cysteine 126
Intramolecular
Cysteine 119 and cysteine 148
Cysteine 58 and cysteine 96
Cysteine 117 and cysteine 148
Cysteine 117 and cysteine 119
Cysteine 96 and cysteine 119
Cysteine 119 and cysteine 126
Cysteine 126 and cysteine 148
Cysteine 58 and cysteine 119
A redox-regulated disulphide may form between two units of ATP synthase subunit s, mitochondrial at cysteines 126 and 126 (101 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 ?
20
PDB code
3e2j
Structure name
crystal structure of bovine coupling factor b
Structure deposition date
2008-08-05
Thiol separation (Å)
10
Half-sphere exposure sum ?
80
Minimum pKa ?
14
% buried
100
Peptide A name
ATP synthase subunit s, mitochondrial
Peptide B name
ATP synthase subunit s, mitochondrial
Peptide A accession
P22027
Peptide B accession
P22027
Peptide A residue number
126
Peptide B residue number
126

Ligandability

A redox-regulated disulphide may form within ATP synthase subunit s, mitochondrial between cysteines 119 and 148 (94 and 123 respectively in this structure).

Details

Redox score ?
71
PDB code
3e2j
Structure name
crystal structure of bovine coupling factor b
Structure deposition date
2008-08-05
Thiol separation (Å)
5
Half-sphere exposure sum ?
68
Minimum pKa ?
8
% buried
94
Peptide accession
P22027
Residue number A
119
Residue number B
148
Peptide name
ATP synthase subunit s, mitochondrial

Ligandability

Cysteine 119 of ATP synthase subunit s, mitochondrial

Cysteine 148 of ATP synthase subunit s, mitochondrial

A redox-regulated disulphide may form within ATP synthase subunit s, mitochondrial between cysteines 58 and 96 (33 and 71 respectively in this structure).

Details

Redox score ?
66
PDB code
3e2j
Structure name
crystal structure of bovine coupling factor b
Structure deposition date
2008-08-05
Thiol separation (Å)
4
Half-sphere exposure sum ?
64
Minimum pKa ?
10
% buried
56
Peptide accession
P22027
Residue number A
58
Residue number B
96
Peptide name
ATP synthase subunit s, mitochondrial

Ligandability

Cysteine 58 of ATP synthase subunit s, mitochondrial

Cysteine 96 of ATP synthase subunit s, mitochondrial

A redox-regulated disulphide may form within ATP synthase subunit s, mitochondrial between cysteines 117 and 148 (92 and 123 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
3e2j
Structure name
crystal structure of bovine coupling factor b
Structure deposition date
2008-08-05
Thiol separation (Å)
6
Half-sphere exposure sum ?
68
Minimum pKa ?
10
% buried
45
Peptide accession
P22027
Residue number A
117
Residue number B
148
Peptide name
ATP synthase subunit s, mitochondrial

Ligandability

Cysteine 117 of ATP synthase subunit s, mitochondrial

Cysteine 148 of ATP synthase subunit s, mitochondrial

A redox-regulated disulphide may form within ATP synthase subunit s, mitochondrial between cysteines 117 and 119 (92 and 94 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
3e2j
Structure name
crystal structure of bovine coupling factor b
Structure deposition date
2008-08-05
Thiol separation (Å)
7
Half-sphere exposure sum ?
63
Minimum pKa ?
9
% buried
48
Peptide accession
P22027
Residue number A
117
Residue number B
119
Peptide name
ATP synthase subunit s, mitochondrial

Ligandability

Cysteine 117 of ATP synthase subunit s, mitochondrial

Cysteine 119 of ATP synthase subunit s, mitochondrial

A redox-regulated disulphide may form within ATP synthase subunit s, mitochondrial between cysteines 96 and 119 (71 and 94 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
3e2j
Structure name
crystal structure of bovine coupling factor b
Structure deposition date
2008-08-05
Thiol separation (Å)
9
Half-sphere exposure sum ?
73
Minimum pKa ?
7
% buried
89
Peptide accession
P22027
Residue number A
96
Residue number B
119
Peptide name
ATP synthase subunit s, mitochondrial

Ligandability

Cysteine 96 of ATP synthase subunit s, mitochondrial

Cysteine 119 of ATP synthase subunit s, mitochondrial

A redox-regulated disulphide may form within ATP synthase subunit s, mitochondrial between cysteines 119 and 126 (94 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 ?
39
PDB code
3e2j
Structure name
crystal structure of bovine coupling factor b
Structure deposition date
2008-08-05
Thiol separation (Å)
10
Half-sphere exposure sum ?
62
Minimum pKa ?
10
% buried
62
Peptide accession
P22027
Residue number A
119
Residue number B
126
Peptide name
ATP synthase subunit s, mitochondrial

Ligandability

Cysteine 119 of ATP synthase subunit s, mitochondrial

Cysteine 126 of ATP synthase subunit s, mitochondrial

A redox-regulated disulphide may form within ATP synthase subunit s, mitochondrial between cysteines 126 and 148 (101 and 123 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
27
PDB code
3e2j
Structure name
crystal structure of bovine coupling factor b
Structure deposition date
2008-08-05
Thiol separation (Å)
9
Half-sphere exposure sum ?
77
Minimum pKa ?
15
% buried
96
Peptide accession
P22027
Residue number A
126
Residue number B
148
Peptide name
ATP synthase subunit s, mitochondrial

Ligandability

Cysteine 126 of ATP synthase subunit s, mitochondrial

Cysteine 148 of ATP synthase subunit s, mitochondrial

A redox-regulated disulphide may form within ATP synthase subunit s, mitochondrial between cysteines 58 and 119 (33 and 94 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
25
PDB code
3e3z
Structure name
crystal structure of bovine coupling factor b bound with phenylarsine oxide
Structure deposition date
2008-08-08
Thiol separation (Å)
10
Half-sphere exposure sum ?
66
Minimum pKa ?
16
% buried
76
Peptide accession
P22027
Residue number A
58
Residue number B
119
Peptide name
ATP synthase subunit s, mitochondrial

Ligandability

Cysteine 58 of ATP synthase subunit s, mitochondrial

Cysteine 119 of ATP synthase subunit s, mitochondrial

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