ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Glutamate receptor ionotropic, NMDA 3A

Intramolecular
Cysteine 859 and cysteine 913
Cysteine 537 and cysteine 575
Cysteine 543 and cysteine 576
Cysteine 537 and cysteine 543
Cysteine 543 and cysteine 575
Cysteine 537 and cysteine 576
Cysteine 575 and cysteine 576
A redox-regulated disulphide may form within Glutamate receptor ionotropic, NMDA 3A between cysteines 859 and 913 (238 and 292 respectively in this structure).

Details

Redox score ?
87
PDB code
4kcd
Structure name
crystal structure of the nmda receptor glun3a ligand binding domain apo state
Structure deposition date
2013-04-24
Thiol separation (Å)
2
Half-sphere exposure sum ?
36
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9R1M7
Residue number A
859
Residue number B
913
Peptide name
Glutamate receptor ionotropic, NMDA 3A

Ligandability

Cysteine 859 of Glutamate receptor ionotropic, NMDA 3A

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 913 of Glutamate receptor ionotropic, NMDA 3A

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 Glutamate receptor ionotropic, NMDA 3A between cysteines 537 and 575 (29 and 67 respectively in this structure).

Details

Redox score ?
85
PDB code
2rc7
Structure name
crystal structure of the nr3a ligand binding core complex with glycine at 1
Structure deposition date
2007-09-19
Thiol separation (Å)
2
Half-sphere exposure sum ?
52
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9R1M7
Residue number A
537
Residue number B
575
Peptide name
Glutamate receptor ionotropic, NMDA 3A

Ligandability

Cysteine 537 of Glutamate receptor ionotropic, NMDA 3A

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 575 of Glutamate receptor ionotropic, NMDA 3A

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 Glutamate receptor ionotropic, NMDA 3A between cysteines 543 and 576 (35 and 68 respectively in this structure).

Details

Redox score ?
74
PDB code
2rc9
Structure name
crystal structure of the nr3a ligand binding core complex with acpc at 1
Structure deposition date
2007-09-19
Thiol separation (Å)
3
Half-sphere exposure sum ?
84
Minimum pKa ?
nan
% buried
45
Peptide accession
Q9R1M7
Residue number A
543
Residue number B
576
Peptide name
Glutamate receptor ionotropic, NMDA 3A

Ligandability

Cysteine 543 of Glutamate receptor ionotropic, NMDA 3A

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 576 of Glutamate receptor ionotropic, NMDA 3A

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 Glutamate receptor ionotropic, NMDA 3A between cysteines 537 and 543 (29 and 35 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
57
PDB code
2rc8
Structure name
crystal structure of the nr3a ligand binding core complex with d- serine at 1
Structure deposition date
2007-09-19
Thiol separation (Å)
7
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9R1M7
Residue number A
537
Residue number B
543
Peptide name
Glutamate receptor ionotropic, NMDA 3A

Ligandability

Cysteine 537 of Glutamate receptor ionotropic, NMDA 3A

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 543 of Glutamate receptor ionotropic, NMDA 3A

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 Glutamate receptor ionotropic, NMDA 3A between cysteines 543 and 575 (35 and 67 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
2rc8
Structure name
crystal structure of the nr3a ligand binding core complex with d- serine at 1
Structure deposition date
2007-09-19
Thiol separation (Å)
7
Half-sphere exposure sum ?
72
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9R1M7
Residue number A
543
Residue number B
575
Peptide name
Glutamate receptor ionotropic, NMDA 3A

Ligandability

Cysteine 543 of Glutamate receptor ionotropic, NMDA 3A

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 575 of Glutamate receptor ionotropic, NMDA 3A

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 Glutamate receptor ionotropic, NMDA 3A between cysteines 537 and 576 (29 and 68 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
2rc9
Structure name
crystal structure of the nr3a ligand binding core complex with acpc at 1
Structure deposition date
2007-09-19
Thiol separation (Å)
8
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9R1M7
Residue number A
537
Residue number B
576
Peptide name
Glutamate receptor ionotropic, NMDA 3A

Ligandability

Cysteine 537 of Glutamate receptor ionotropic, NMDA 3A

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 576 of Glutamate receptor ionotropic, NMDA 3A

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 Glutamate receptor ionotropic, NMDA 3A between cysteines 575 and 576 (67 and 68 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
2rc9
Structure name
crystal structure of the nr3a ligand binding core complex with acpc at 1
Structure deposition date
2007-09-19
Thiol separation (Å)
8
Half-sphere exposure sum ?
73
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q9R1M7
Residue number A
575
Residue number B
576
Peptide name
Glutamate receptor ionotropic, NMDA 3A

Ligandability

Cysteine 575 of Glutamate receptor ionotropic, NMDA 3A

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 576 of Glutamate receptor ionotropic, NMDA 3A

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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