ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Chymase

Intramolecular
Cysteine 144 and cysteine 209
Cysteine 175 and cysteine 188
Cysteine 51 and cysteine 67
A redox-regulated disulphide may form within Chymase between cysteines 144 and 209 (123 and 188 respectively in this structure).

Details

Redox score ?
84
PDB code
4afu
Structure name
human chymase - fynomer complex
Structure deposition date
2012-01-23
Thiol separation (Å)
2
Half-sphere exposure sum ?
71
Minimum pKa ?
nan
% buried
nan
Peptide accession
P23946
Residue number A
144
Residue number B
209
Peptide name
Chymase

Ligandability

Cysteine 144 of Chymase

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 209 of Chymase

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 Chymase between cysteines 175 and 188 (154 and 167 respectively in this structure).

Details

Redox score ?
83
PDB code
3s0n
Structure name
crystal structure of human chymase with benzimidazolone inhibitor
Structure deposition date
2011-05-13
Thiol separation (Å)
2
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
P23946
Residue number A
175
Residue number B
188
Peptide name
Chymase

Ligandability

Cysteine 175 of Chymase

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 188 of Chymase

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 Chymase between cysteines 51 and 67 (30 and 46 respectively in this structure).

Details

Redox score ?
79
PDB code
4afu
Structure name
human chymase - fynomer complex
Structure deposition date
2012-01-23
Thiol separation (Å)
2
Half-sphere exposure sum ?
97
Minimum pKa ?
nan
% buried
nan
Peptide accession
P23946
Residue number A
51
Residue number B
67
Peptide name
Chymase

Ligandability

Cysteine 51 of Chymase

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 67 of Chymase

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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