ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Peptidoglycan recognition protein 1

Intermolecular
Cysteine 152 and cysteine 152
Cysteine 28 and cysteine 28
Intramolecular
Cysteine 44 and cysteine 89
Cysteine 65 and cysteine 71
Cysteine 28 and cysteine 152
A redox-regulated disulphide may form between two units of Peptidoglycan recognition protein 1 at cysteines 152 and 152 (130 and 130 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
3umq
Structure name
crystal structure of peptidoglycan recognition protein-s complexed with butyric acid at 2
Structure deposition date
2011-11-14
Thiol separation (Å)
9
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide A name
Peptidoglycan recognition protein 1
Peptide B name
Peptidoglycan recognition protein 1
Peptide A accession
Q9GK12
Peptide B accession
Q9GK12
Peptide A residue number
152
Peptide B residue number
152

Ligandability

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 two units of Peptidoglycan recognition protein 1 at cysteines 28 and 28 (6 and 6 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
3qv4
Structure name
crystal structure of the complex of peptidoglycan recognition protein (pgrp-s) with dipeptide l-ala d-glu at 2
Structure deposition date
2011-02-25
Thiol separation (Å)
9
Half-sphere exposure sum ?
70
Minimum pKa ?
nan
% buried
nan
Peptide A name
Peptidoglycan recognition protein 1
Peptide B name
Peptidoglycan recognition protein 1
Peptide A accession
Q9GK12
Peptide B accession
Q9GK12
Peptide A residue number
28
Peptide B residue number
28

Ligandability

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 Peptidoglycan recognition protein 1 between cysteines 44 and 89 (22 and 67 respectively in this structure).

Details

Redox score ?
86
PDB code
3o4k
Structure name
crystal structure of the complex of peptidoglycan recognition protein (pgrp-s) and lipoteichoic acid at 2
Structure deposition date
2010-07-27
Thiol separation (Å)
2
Half-sphere exposure sum ?
52
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9GK12
Residue number A
44
Residue number B
89
Peptide name
Peptidoglycan recognition protein 1

Ligandability

Cysteine 44 of Peptidoglycan recognition 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 89 of Peptidoglycan recognition 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 Peptidoglycan recognition protein 1 between cysteines 65 and 71 (43 and 49 respectively in this structure).

Details

Redox score ?
83
PDB code
6idm
Structure name
crystal structure of peptidoglycan recognition protein (pgrp-s) with tartaric acid at 3
Structure deposition date
2018-09-10
Thiol separation (Å)
2
Half-sphere exposure sum ?
61
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9GK12
Residue number A
65
Residue number B
71
Peptide name
Peptidoglycan recognition protein 1

Ligandability

Cysteine 65 of Peptidoglycan recognition 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 71 of Peptidoglycan recognition 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 Peptidoglycan recognition protein 1 between cysteines 28 and 152 (6 and 130 respectively in this structure).

Details

Redox score ?
82
PDB code
3o4k
Structure name
crystal structure of the complex of peptidoglycan recognition protein (pgrp-s) and lipoteichoic acid at 2
Structure deposition date
2010-07-27
Thiol separation (Å)
3
Half-sphere exposure sum ?
44
Minimum pKa ?
9
% buried
14
Peptide accession
Q9GK12
Residue number A
28
Residue number B
152
Peptide name
Peptidoglycan recognition protein 1

Ligandability

Cysteine 28 of Peptidoglycan recognition 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 152 of Peptidoglycan recognition 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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