a tool for identifying drug-targetable redox-active disulphides

Tryptase beta-2

Intramolecular

Cysteine 155 and cysteine 230

Cysteine 188 and cysteine 211

Cysteine 220 and cysteine 248

Cysteine 59 and cysteine 75

A redox-regulated disulphide may form within Tryptase beta-2 between cysteines 155 and 230 (136 and 201 respectively in this structure).

Details

Redox score ?

83

PDB code

Structure name

human beta tryptase ii complexed with activated ketone inhibitor cra- 29382

Structure deposition date

2006-02-06

Thiol separation (Å)

2

Half-sphere exposure sum ?

68

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

155

Residue number B

230

Peptide name

Tryptase beta-2

Ligandability

Cysteine 155 of Tryptase beta-2

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 230 of Tryptase beta-2

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 Tryptase beta-2 between cysteines 188 and 211 (168 and 182 respectively in this structure).

Details

Redox score ?

80

PDB code

Structure name

human beta-tryptase: a ring-like tetramer with active sites facing a central pore

Structure deposition date

1997-12-03

Thiol separation (Å)

2

Half-sphere exposure sum ?

80

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

188

Residue number B

211

Peptide name

Tryptase beta-2

Ligandability

Cysteine 188 of Tryptase beta-2

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 211 of Tryptase beta-2

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 Tryptase beta-2 between cysteines 220 and 248 (191 and 220 respectively in this structure).

Details

Redox score ?

80

PDB code

Structure name

human beta-tryptase ii with inhibitor cra-29382

Structure deposition date

2006-01-21

Thiol separation (Å)

2

Half-sphere exposure sum ?

84

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

220

Residue number B

248

Peptide name

Tryptase beta-2

Ligandability

Cysteine 220 of Tryptase beta-2

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 248 of Tryptase beta-2

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 Tryptase beta-2 between cysteines 59 and 75 (42 and 58 respectively in this structure).

Details

Redox score ?

79

PDB code

Structure name

tryptase b2 in complex with 5-(3-aminomethyl-phenoxymethyl)-3-[3-(2- chloro-pyridin-3-ylethynyl)-phenyl]-oxazolidin-2-one; compound with trifluoro-acetic acid

Structure deposition date

2015-11-27

Thiol separation (Å)

2

Half-sphere exposure sum ?

84

Minimum pK_a ?

nan

% buried

nan

Peptide accession

Residue number A

59

Residue number B

75

Peptide name

Tryptase beta-2

Ligandability

Cysteine 59 of Tryptase beta-2

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 75 of Tryptase beta-2

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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