ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Baculoviral IAP repeat-containing protein 1

Intramolecular
Cysteine 200 and cysteine 224
Cysteine 197 and cysteine 200
Cysteine 197 and cysteine 224
Cysteine 200 and cysteine 203
Cysteine 197 and cysteine 203
A redox-regulated disulphide may form within Baculoviral IAP repeat-containing protein 1 between cysteines 200 and 224.

Details

Redox score ?
91
PDB code
2vm5
Structure name
human bir2 domain of baculoviral inhibitor of apoptosis repeat-containing 1 (birc1)
Structure deposition date
2008-01-23
Thiol separation (Å)
4
Half-sphere exposure sum ?
52
Minimum pKa ?
3
% buried
40
Peptide accession
Q13075
Residue number A
200
Residue number B
224
Peptide name
Baculoviral IAP repeat-containing protein 1

Ligandability

Cysteine 200 of Baculoviral IAP repeat-containing protein 1

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 224 of Baculoviral IAP repeat-containing protein 1

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 Baculoviral IAP repeat-containing protein 1 between cysteines 197 and 200.

Details

Redox score ?
86
PDB code
2vm5
Structure name
human bir2 domain of baculoviral inhibitor of apoptosis repeat-containing 1 (birc1)
Structure deposition date
2008-01-23
Thiol separation (Å)
4
Half-sphere exposure sum ?
65
Minimum pKa ?
3
% buried
62
Peptide accession
Q13075
Residue number A
197
Residue number B
200
Peptide name
Baculoviral IAP repeat-containing protein 1

Ligandability

Cysteine 197 of Baculoviral IAP repeat-containing protein 1

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 200 of Baculoviral IAP repeat-containing protein 1

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 Baculoviral IAP repeat-containing protein 1 between cysteines 197 and 224.

Details

Redox score ?
76
PDB code
2vm5
Structure name
human bir2 domain of baculoviral inhibitor of apoptosis repeat-containing 1 (birc1)
Structure deposition date
2008-01-23
Thiol separation (Å)
4
Half-sphere exposure sum ?
65
Minimum pKa ?
8
% buried
52
Peptide accession
Q13075
Residue number A
197
Residue number B
224
Peptide name
Baculoviral IAP repeat-containing protein 1

Ligandability

Cysteine 197 of Baculoviral IAP repeat-containing protein 1

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 224 of Baculoviral IAP repeat-containing protein 1

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 Baculoviral IAP repeat-containing protein 1 between cysteines 200 and 203. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
59
PDB code
2vm5
Structure name
human bir2 domain of baculoviral inhibitor of apoptosis repeat-containing 1 (birc1)
Structure deposition date
2008-01-23
Thiol separation (Å)
8
Half-sphere exposure sum ?
66
Minimum pKa ?
3
% buried
47
Peptide accession
Q13075
Residue number A
200
Residue number B
203
Peptide name
Baculoviral IAP repeat-containing protein 1

Ligandability

Cysteine 200 of Baculoviral IAP repeat-containing protein 1

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 203 of Baculoviral IAP repeat-containing protein 1

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 Baculoviral IAP repeat-containing protein 1 between cysteines 197 and 203. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
2vm5
Structure name
human bir2 domain of baculoviral inhibitor of apoptosis repeat-containing 1 (birc1)
Structure deposition date
2008-01-23
Thiol separation (Å)
9
Half-sphere exposure sum ?
79
Minimum pKa ?
11
% buried
60
Peptide accession
Q13075
Residue number A
197
Residue number B
203
Peptide name
Baculoviral IAP repeat-containing protein 1

Ligandability

Cysteine 197 of Baculoviral IAP repeat-containing protein 1

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 203 of Baculoviral IAP repeat-containing protein 1

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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