ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Calbindin

Intramolecular
Cysteine 187 and cysteine 257
Cysteine 94 and cysteine 100
A redox-regulated disulphide may form within Calbindin between cysteines 187 and 257. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
59
PDB code
6fie
Structure name
crystallographic structure of calcium loaded calbindin-d28k
Structure deposition date
2018-01-18
Thiol separation (Å)
7
Half-sphere exposure sum ?
45
Minimum pKa ?
8
% buried
4
Peptide accession
P05937
Residue number A
187
Residue number B
257
Peptide name
Calbindin

Ligandability

Cysteine 187 of Calbindin

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 257 of Calbindin

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 Calbindin between cysteines 94 and 100. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
2g9b
Structure name
nmr solution structure of ca2+-loaded calbindin d28k
Structure deposition date
2006-03-06
Thiol separation (Å)
10
Half-sphere exposure sum ?
68
Minimum pKa ?
11
% buried
75
Peptide accession
P07171
Residue number A
94
Residue number B
100
Peptide name
Calbindin

Ligandability

Cysteine 94 of Calbindin

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 100 of Calbindin

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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