ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

CDGSH iron-sulfur domain-containing protein 2

Intramolecular
Cysteine 99 and cysteine 101
Cysteine 99 and cysteine 110 L
Cysteine 101 and cysteine 110 L
Cysteine 101 and cysteine 114
A redox-regulated disulphide may form within CDGSH iron-sulfur domain-containing protein 2 between cysteines 99 and 101.

Details

Redox score ?
76
PDB code
4ooa
Structure name
crystal structure of naf1 (miner1): h114c the redox-active 2fe-2s protein
Structure deposition date
2014-01-31
Thiol separation (Å)
3
Half-sphere exposure sum ?
88
Minimum pKa ?
6
% buried
78
Peptide accession
Q8N5K1
Residue number A
99
Residue number B
101
Peptide name
CDGSH iron-sulfur domain-containing protein 2

Ligandability

Cysteine 99 of CDGSH iron-sulfur domain-containing protein 2

Cysteine 101 of CDGSH iron-sulfur domain-containing protein 2

A redox-regulated disulphide may form within CDGSH iron-sulfur domain-containing protein 2 between cysteines 99 and 110.

Details

Redox score ?
67
PDB code
4ooa
Structure name
crystal structure of naf1 (miner1): h114c the redox-active 2fe-2s protein
Structure deposition date
2014-01-31
Thiol separation (Å)
6
Half-sphere exposure sum ?
68
Minimum pKa ?
6
% buried
62
Peptide accession
Q8N5K1
Residue number A
99
Residue number B
110
Peptide name
CDGSH iron-sulfur domain-containing protein 2

Ligandability

Cysteine 99 of CDGSH iron-sulfur domain-containing protein 2

Cysteine 110 of CDGSH iron-sulfur domain-containing protein 2

A redox-regulated disulphide may form within CDGSH iron-sulfur domain-containing protein 2 between cysteines 101 and 110. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
4ooa
Structure name
crystal structure of naf1 (miner1): h114c the redox-active 2fe-2s protein
Structure deposition date
2014-01-31
Thiol separation (Å)
6
Half-sphere exposure sum ?
74
Minimum pKa ?
11
% buried
58
Peptide accession
Q8N5K1
Residue number A
101
Residue number B
110
Peptide name
CDGSH iron-sulfur domain-containing protein 2

Ligandability

Cysteine 101 of CDGSH iron-sulfur domain-containing protein 2

Cysteine 110 of CDGSH iron-sulfur domain-containing protein 2

A redox-regulated disulphide may form within CDGSH iron-sulfur domain-containing protein 2 between cysteines 101 and 114.

Details

Redox score ?
nan
PDB code
4ooa
Structure name
crystal structure of naf1 (miner1): h114c the redox-active 2fe-2s protein
Structure deposition date
2014-01-31
Thiol separation (Å)
5
Half-sphere exposure sum ?
84
Minimum pKa ?
6
% buried
86
Peptide accession
Q8N5K1
Residue number A
101
Residue number B
114
Peptide name
CDGSH iron-sulfur domain-containing protein 2

Ligandability

Cysteine 101 of CDGSH iron-sulfur domain-containing protein 2

Cysteine 114 of CDGSH iron-sulfur domain-containing protein 2

Cysteine 114 in protein B could not be asigned to a Uniprot residue.
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