a tool for identifying drug-targetable redox-active disulphides

STAM-binding protein

Intramolecular

Cysteine 264 and cysteine 367

Cysteine 282 and cysteine 311

Cysteine 406 and cysteine 408

Cysteine 353 and cysteine 390

A redox-regulated disulphide may form within STAM-binding protein between cysteines 264 and 367.

Details

Redox score ?

74

PDB code

Structure name

the crystal structure of the catalytic domain of amsh

Structure deposition date

2011-05-12

Thiol separation (Å)

3

Half-sphere exposure sum ?

80

Minimum pK_a ?

8

% buried

92

Peptide accession

Residue number A

264

Residue number B

367

Peptide name

STAM-binding protein

Ligandability

Cysteine 264 of STAM-binding protein

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 STAM-binding protein

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 STAM-binding protein between cysteines 282 and 311.

Details

Redox score ?

73

PDB code

Structure name

the crystal structure of the catalytic domain of amsh

Structure deposition date

2011-05-12

Thiol separation (Å)

3

Half-sphere exposure sum ?

82

Minimum pK_a ?

9

% buried

100

Peptide accession

Residue number A

282

Residue number B

311

Peptide name

STAM-binding protein

Ligandability

Cysteine 282 of STAM-binding protein

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 311 of STAM-binding protein

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 STAM-binding protein between cysteines 406 and 408. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

58

PDB code

Structure name

the crystal structure of the catalytic domain of amsh

Structure deposition date

2011-05-12

Thiol separation (Å)

7

Half-sphere exposure sum ?

54

Minimum pK_a ?

10

% buried

54

Peptide accession

Residue number A

406

Residue number B

408

Peptide name

STAM-binding protein

Ligandability

Cysteine 406 of STAM-binding protein

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 408 of STAM-binding protein

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 STAM-binding protein between cysteines 353 and 390. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?

47

PDB code

Structure name

the crystal structure of the catalytic domain of amsh

Structure deposition date

2011-05-12

Thiol separation (Å)

10

Half-sphere exposure sum ?

54

Minimum pK_a ?

9

% buried

16

Peptide accession

Residue number A

353

Residue number B

390

Peptide name

STAM-binding protein

Ligandability

Cysteine 353 of STAM-binding protein

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 390 of STAM-binding protein

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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