ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Hirustasin

Intermolecular
Cysteine 49 of Glandular kallikrein and cysteine 29
Cysteine 33 of Glandular kallikrein and cysteine 29
A redox-regulated disulphide may form between cysteine 49 of Glandular kallikrein and cysteine 29 of Hirustasin (58 and 29 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
1hia
Structure name
kallikrein complexed with hirustasin
Structure deposition date
1996-12-12
Thiol separation (Å)
7
Half-sphere exposure sum ?
90
Minimum pKa ?
nan
% buried
nan
Peptide A name
Glandular kallikrein
Peptide B name
Hirustasin
Peptide A accession
P00752
Peptide B accession
P80302
Peptide A residue number
49
Peptide B residue number
29

Ligandability

Cysteine 49 of Glandular kallikrein

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 29 of Hirustasin

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 between cysteine 33 of Glandular kallikrein and cysteine 29 of Hirustasin (42 and 29 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
1hia
Structure name
kallikrein complexed with hirustasin
Structure deposition date
1996-12-12
Thiol separation (Å)
8
Half-sphere exposure sum ?
93
Minimum pKa ?
nan
% buried
nan
Peptide A name
Glandular kallikrein
Peptide B name
Hirustasin
Peptide A accession
P00752
Peptide B accession
P80302
Peptide A residue number
33
Peptide B residue number
29

Ligandability

Cysteine 33 of Glandular kallikrein

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 29 of Hirustasin

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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