ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Disintegrin and metalloproteinase domain-containing protein 8

Intramolecular
Cysteine 353 and cysteine 362 L
Cysteine 310 and cysteine 395
Cysteine 351 and cysteine 379
Cysteine 351 and cysteine 353
Cysteine 351 and cysteine 362 L
Cysteine 353 and cysteine 379
Cysteine 362 and cysteine 379 L
A redox-regulated disulphide may form within Disintegrin and metalloproteinase domain-containing protein 8 between cysteines 353 and 362.

Details

Redox score ?
84
PDB code
4dd8
Structure name
adam-8 metalloproteinase domain with bound batimastat
Structure deposition date
2012-01-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide accession
P78325
Residue number A
353
Residue number B
362
Peptide name
Disintegrin and metalloproteinase domain-containing protein 8

Ligandability

Cysteine 353 of Disintegrin and metalloproteinase domain-containing protein 8

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 362 of Disintegrin and metalloproteinase domain-containing protein 8

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.

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 Disintegrin and metalloproteinase domain-containing protein 8 between cysteines 310 and 395.

Details

Redox score ?
82
PDB code
4dd8
Structure name
adam-8 metalloproteinase domain with bound batimastat
Structure deposition date
2012-01-18
Thiol separation (Å)
2
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
P78325
Residue number A
310
Residue number B
395
Peptide name
Disintegrin and metalloproteinase domain-containing protein 8

Ligandability

Cysteine 310 of Disintegrin and metalloproteinase domain-containing protein 8

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 395 of Disintegrin and metalloproteinase domain-containing protein 8

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 Disintegrin and metalloproteinase domain-containing protein 8 between cysteines 351 and 379.

Details

Redox score ?
75
PDB code
4dd8
Structure name
adam-8 metalloproteinase domain with bound batimastat
Structure deposition date
2012-01-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
54
Minimum pKa ?
nan
% buried
12
Peptide accession
P78325
Residue number A
351
Residue number B
379
Peptide name
Disintegrin and metalloproteinase domain-containing protein 8

Ligandability

Cysteine 351 of Disintegrin and metalloproteinase domain-containing protein 8

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 379 of Disintegrin and metalloproteinase domain-containing protein 8

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 Disintegrin and metalloproteinase domain-containing protein 8 between cysteines 351 and 353.

Details

Redox score ?
63
PDB code
4dd8
Structure name
adam-8 metalloproteinase domain with bound batimastat
Structure deposition date
2012-01-18
Thiol separation (Å)
7
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
P78325
Residue number A
351
Residue number B
353
Peptide name
Disintegrin and metalloproteinase domain-containing protein 8

Ligandability

Cysteine 351 of Disintegrin and metalloproteinase domain-containing protein 8

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 353 of Disintegrin and metalloproteinase domain-containing protein 8

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 Disintegrin and metalloproteinase domain-containing protein 8 between cysteines 351 and 362. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
56
PDB code
4dd8
Structure name
adam-8 metalloproteinase domain with bound batimastat
Structure deposition date
2012-01-18
Thiol separation (Å)
7
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P78325
Residue number A
351
Residue number B
362
Peptide name
Disintegrin and metalloproteinase domain-containing protein 8

Ligandability

Cysteine 351 of Disintegrin and metalloproteinase domain-containing protein 8

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 362 of Disintegrin and metalloproteinase domain-containing protein 8

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.

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 Disintegrin and metalloproteinase domain-containing protein 8 between cysteines 353 and 379. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
4dd8
Structure name
adam-8 metalloproteinase domain with bound batimastat
Structure deposition date
2012-01-18
Thiol separation (Å)
8
Half-sphere exposure sum ?
58
Minimum pKa ?
nan
% buried
nan
Peptide accession
P78325
Residue number A
353
Residue number B
379
Peptide name
Disintegrin and metalloproteinase domain-containing protein 8

Ligandability

Cysteine 353 of Disintegrin and metalloproteinase domain-containing protein 8

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 379 of Disintegrin and metalloproteinase domain-containing protein 8

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 Disintegrin and metalloproteinase domain-containing protein 8 between cysteines 362 and 379. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
4dd8
Structure name
adam-8 metalloproteinase domain with bound batimastat
Structure deposition date
2012-01-18
Thiol separation (Å)
8
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
P78325
Residue number A
362
Residue number B
379
Peptide name
Disintegrin and metalloproteinase domain-containing protein 8

Ligandability

Cysteine 362 of Disintegrin and metalloproteinase domain-containing protein 8

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.

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 379 of Disintegrin and metalloproteinase domain-containing protein 8

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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