ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Glutamate receptor ionotropic, NMDA 2D

Intramolecular
Cysteine 104 and cysteine 348
Cysteine 455 and cysteine 483
Cysteine 462 and cysteine 484
Cysteine 773 and cysteine 828
Cysteine 462 and cysteine 483
Cysteine 483 and cysteine 484
Cysteine 455 and cysteine 484
Cysteine 455 and cysteine 462
A redox-regulated disulphide may form within Glutamate receptor ionotropic, NMDA 2D between cysteines 104 and 348.

Details

Redox score ?
85
PDB code
8e96
Structure name
glycine and glutamate bound human glun1a-glun2d nmda receptor
Structure deposition date
2022-08-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15399
Residue number A
104
Residue number B
348
Peptide name
Glutamate receptor ionotropic, NMDA 2D

Ligandability

Cysteine 104 of Glutamate receptor ionotropic, NMDA 2D

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 348 of Glutamate receptor ionotropic, NMDA 2D

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 2D between cysteines 455 and 483.

Details

Redox score ?
84
PDB code
8e96
Structure name
glycine and glutamate bound human glun1a-glun2d nmda receptor
Structure deposition date
2022-08-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
59
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15399
Residue number A
455
Residue number B
483
Peptide name
Glutamate receptor ionotropic, NMDA 2D

Ligandability

Cysteine 455 of Glutamate receptor ionotropic, NMDA 2D

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 483 of Glutamate receptor ionotropic, NMDA 2D

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 2D between cysteines 462 and 484.

Details

Redox score ?
83
PDB code
8e96
Structure name
glycine and glutamate bound human glun1a-glun2d nmda receptor
Structure deposition date
2022-08-26
Thiol separation (Å)
2
Half-sphere exposure sum ?
77
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15399
Residue number A
462
Residue number B
484
Peptide name
Glutamate receptor ionotropic, NMDA 2D

Ligandability

Cysteine 462 of Glutamate receptor ionotropic, NMDA 2D

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 484 of Glutamate receptor ionotropic, NMDA 2D

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 2D between cysteines 773 and 828.

Details

Redox score ?
80
PDB code
8e96
Structure name
glycine and glutamate bound human glun1a-glun2d nmda receptor
Structure deposition date
2022-08-26
Thiol separation (Å)
3
Half-sphere exposure sum ?
41
Minimum pKa ?
8
% buried
0
Peptide accession
O15399
Residue number A
773
Residue number B
828
Peptide name
Glutamate receptor ionotropic, NMDA 2D

Ligandability

Cysteine 773 of Glutamate receptor ionotropic, NMDA 2D

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 828 of Glutamate receptor ionotropic, NMDA 2D

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 2D between cysteines 462 and 483. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
8e96
Structure name
glycine and glutamate bound human glun1a-glun2d nmda receptor
Structure deposition date
2022-08-26
Thiol separation (Å)
7
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15399
Residue number A
462
Residue number B
483
Peptide name
Glutamate receptor ionotropic, NMDA 2D

Ligandability

Cysteine 462 of Glutamate receptor ionotropic, NMDA 2D

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 483 of Glutamate receptor ionotropic, NMDA 2D

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 2D between cysteines 483 and 484. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
8e96
Structure name
glycine and glutamate bound human glun1a-glun2d nmda receptor
Structure deposition date
2022-08-26
Thiol separation (Å)
7
Half-sphere exposure sum ?
72
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15399
Residue number A
483
Residue number B
484
Peptide name
Glutamate receptor ionotropic, NMDA 2D

Ligandability

Cysteine 483 of Glutamate receptor ionotropic, NMDA 2D

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 484 of Glutamate receptor ionotropic, NMDA 2D

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 2D between cysteines 455 and 484. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
8e96
Structure name
glycine and glutamate bound human glun1a-glun2d nmda receptor
Structure deposition date
2022-08-26
Thiol separation (Å)
9
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15399
Residue number A
455
Residue number B
484
Peptide name
Glutamate receptor ionotropic, NMDA 2D

Ligandability

Cysteine 455 of Glutamate receptor ionotropic, NMDA 2D

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 484 of Glutamate receptor ionotropic, NMDA 2D

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 2D between cysteines 455 and 462. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
8e96
Structure name
glycine and glutamate bound human glun1a-glun2d nmda receptor
Structure deposition date
2022-08-26
Thiol separation (Å)
9
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
O15399
Residue number A
455
Residue number B
462
Peptide name
Glutamate receptor ionotropic, NMDA 2D

Ligandability

Cysteine 455 of Glutamate receptor ionotropic, NMDA 2D

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 462 of Glutamate receptor ionotropic, NMDA 2D

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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