ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Mevalonate kinase

Intramolecular
Cysteine 120 and cysteine 161
Cysteine 363 and cysteine 367
A redox-regulated disulphide may form within Mevalonate kinase between cysteines 120 and 161.

Details

Redox score ?
80
PDB code
2r3v
Structure name
the biochemical and structural basis for feedback inhibition of mevalonate kinase and isoprenoid metabolism
Structure deposition date
2007-08-30
Thiol separation (Å)
3
Half-sphere exposure sum ?
60
Minimum pKa ?
8
% buried
70
Peptide accession
Q03426
Residue number A
120
Residue number B
161
Peptide name
Mevalonate kinase

Ligandability

Cysteine 120 of Mevalonate kinase

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 161 of Mevalonate kinase

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 Mevalonate kinase between cysteines 363 and 367. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
2r3v
Structure name
the biochemical and structural basis for feedback inhibition of mevalonate kinase and isoprenoid metabolism
Structure deposition date
2007-08-30
Thiol separation (Å)
10
Half-sphere exposure sum ?
54
Minimum pKa ?
10
% buried
40
Peptide accession
Q03426
Residue number A
363
Residue number B
367
Peptide name
Mevalonate kinase

Ligandability

Cysteine 363 of Mevalonate kinase

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 367 of Mevalonate kinase

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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