ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

V-type proton ATPase 116 kDa subunit a 1

Intramolecular
Cysteine 729 and cysteine 732
Cysteine 24 and cysteine 25
Cysteine 646 and cysteine 728
Cysteine 25 and cysteine 318
A redox-regulated disulphide may form within V-type proton ATPase 116 kDa subunit a 1 between cysteines 729 and 732. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
6vq7
Structure name
mammalian v-atpase from rat brain - composite model of rotational state 2 bound to adp and sidk (built from focused refinement models)
Structure deposition date
2020-02-04
Thiol separation (Å)
6
Half-sphere exposure sum ?
67
Minimum pKa ?
11
% buried
80
Peptide accession
P25286
Residue number A
729
Residue number B
732
Peptide name
V-type proton ATPase 116 kDa subunit a 1

Ligandability

Cysteine 729 of V-type proton ATPase 116 kDa subunit a 1

Cysteine 732 of V-type proton ATPase 116 kDa subunit a 1

A redox-regulated disulphide may form within V-type proton ATPase 116 kDa subunit a 1 between cysteines 24 and 25. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
6wm2
Structure name
human v-atpase in state 1 with sidk and adp
Structure deposition date
2020-04-20
Thiol separation (Å)
7
Half-sphere exposure sum ?
77
Minimum pKa ?
10
% buried
85
Peptide accession
Q93050
Residue number A
24
Residue number B
25
Peptide name
V-type proton ATPase 116 kDa subunit a 1

Ligandability

Cysteine 24 of V-type proton ATPase 116 kDa subunit a 1

Cysteine 25 of V-type proton ATPase 116 kDa subunit a 1

A redox-regulated disulphide may form within V-type proton ATPase 116 kDa subunit a 1 between cysteines 646 and 728. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
6wm4
Structure name
human v-atpase in state 3 with sidk and adp
Structure deposition date
2020-04-20
Thiol separation (Å)
10
Half-sphere exposure sum ?
54
Minimum pKa ?
10
% buried
52
Peptide accession
Q93050
Residue number A
646
Residue number B
728
Peptide name
V-type proton ATPase 116 kDa subunit a 1

Ligandability

Cysteine 646 of V-type proton ATPase 116 kDa subunit a 1

Cysteine 728 of V-type proton ATPase 116 kDa subunit a 1

A redox-regulated disulphide may form within V-type proton ATPase 116 kDa subunit a 1 between cysteines 25 and 318. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
6wm4
Structure name
human v-atpase in state 3 with sidk and adp
Structure deposition date
2020-04-20
Thiol separation (Å)
10
Half-sphere exposure sum ?
70
Minimum pKa ?
12
% buried
81
Peptide accession
Q93050
Residue number A
25
Residue number B
318
Peptide name
V-type proton ATPase 116 kDa subunit a 1

Ligandability

Cysteine 25 of V-type proton ATPase 116 kDa subunit a 1

Cysteine 318 of V-type proton ATPase 116 kDa subunit a 1

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