ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Metabotropic glutamate receptor 5

Intramolecular
Cysteine 552 and cysteine 565
Cysteine 537 and cysteine 549
Cysteine 515 and cysteine 534
Cysteine 365 and cysteine 381
Cysteine 419 and cysteine 426
Cysteine 511 and cysteine 531
Cysteine 644 and cysteine 733
Cysteine 57 and cysteine 99
Cysteine 241 and cysteine 530
Cysteine 530 and cysteine 531
More...
Cysteine 511 and cysteine 530
Cysteine 241 and cysteine 531
Cysteine 276 and cysteine 278
Cysteine 631 and cysteine 634
Cysteine 549 and cysteine 552
Cysteine 241 and cysteine 511
Cysteine 515 and cysteine 537
Cysteine 754 and cysteine 782
Cysteine 634 and cysteine 733
Cysteine 631 and cysteine 803
Cysteine 626 and cysteine 631
Cysteine 634 and cysteine 644
Cysteine 634 and cysteine 803
A redox-regulated disulphide may form within Metabotropic glutamate receptor 5 between cysteines 552 and 565.

Details

Redox score ?
92
PDB code
6n4y
Structure name
metabotropic glutamate receptor 5 extracellular domain with nb43
Structure deposition date
2018-11-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
P41594
Residue number A
552
Residue number B
565
Peptide name
Metabotropic glutamate receptor 5

Ligandability

Cysteine 552 of Metabotropic glutamate receptor 5

Cysteine 565 of Metabotropic glutamate receptor 5

A redox-regulated disulphide may form within Metabotropic glutamate receptor 5 between cysteines 537 and 549.

Details

Redox score ?
90
PDB code
6n4y
Structure name
metabotropic glutamate receptor 5 extracellular domain with nb43
Structure deposition date
2018-11-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
49
Minimum pKa ?
nan
% buried
nan
Peptide accession
P41594
Residue number A
537
Residue number B
549
Peptide name
Metabotropic glutamate receptor 5

Ligandability

Cysteine 537 of Metabotropic glutamate receptor 5

Cysteine 549 of Metabotropic glutamate receptor 5

A redox-regulated disulphide may form within Metabotropic glutamate receptor 5 between cysteines 515 and 534.

Details

Redox score ?
88
PDB code
6n50
Structure name
metabotropic glutamate receptor 5 extracellular domain in complex with nb43 and l-quisqualic acid
Structure deposition date
2018-11-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
48
Minimum pKa ?
nan
% buried
nan
Peptide accession
P41594
Residue number A
515
Residue number B
534
Peptide name
Metabotropic glutamate receptor 5

Ligandability

Cysteine 515 of Metabotropic glutamate receptor 5

Cysteine 534 of Metabotropic glutamate receptor 5

A redox-regulated disulphide may form within Metabotropic glutamate receptor 5 between cysteines 365 and 381.

Details

Redox score ?
86
PDB code
6n4x
Structure name
metabotropic glutamate receptor 5 apo form ligand binding domain
Structure deposition date
2018-11-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
51
Minimum pKa ?
nan
% buried
nan
Peptide accession
P41594
Residue number A
365
Residue number B
381
Peptide name
Metabotropic glutamate receptor 5

Ligandability

Cysteine 365 of Metabotropic glutamate receptor 5

Cysteine 381 of Metabotropic glutamate receptor 5

A redox-regulated disulphide may form within Metabotropic glutamate receptor 5 between cysteines 419 and 426.

Details

Redox score ?
86
PDB code
6n50
Structure name
metabotropic glutamate receptor 5 extracellular domain in complex with nb43 and l-quisqualic acid
Structure deposition date
2018-11-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
49
Minimum pKa ?
nan
% buried
nan
Peptide accession
P41594
Residue number A
419
Residue number B
426
Peptide name
Metabotropic glutamate receptor 5

Ligandability

Cysteine 419 of Metabotropic glutamate receptor 5

Cysteine 426 of Metabotropic glutamate receptor 5

A redox-regulated disulphide may form within Metabotropic glutamate receptor 5 between cysteines 511 and 531.

Details

Redox score ?
84
PDB code
6n50
Structure name
metabotropic glutamate receptor 5 extracellular domain in complex with nb43 and l-quisqualic acid
Structure deposition date
2018-11-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
P41594
Residue number A
511
Residue number B
531
Peptide name
Metabotropic glutamate receptor 5

Ligandability

Cysteine 511 of Metabotropic glutamate receptor 5

Cysteine 531 of Metabotropic glutamate receptor 5

A redox-regulated disulphide may form within Metabotropic glutamate receptor 5 between cysteines 644 and 733 (644 and 1733 respectively in this structure).

Details

Redox score ?
84
PDB code
6ffh
Structure name
crystal structure of mglur5 in complex with fenobam at 2
Structure deposition date
2018-01-08
Thiol separation (Å)
2
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide accession
P41594
Residue number A
644
Residue number B
733
Peptide name
Metabotropic glutamate receptor 5

Ligandability

Cysteine 644 of Metabotropic glutamate receptor 5

Cysteine 733 of Metabotropic glutamate receptor 5

A redox-regulated disulphide may form within Metabotropic glutamate receptor 5 between cysteines 57 and 99.

Details

Redox score ?
82
PDB code
6n50
Structure name
metabotropic glutamate receptor 5 extracellular domain in complex with nb43 and l-quisqualic acid
Structure deposition date
2018-11-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
P41594
Residue number A
57
Residue number B
99
Peptide name
Metabotropic glutamate receptor 5

Ligandability

Cysteine 57 of Metabotropic glutamate receptor 5

Cysteine 99 of Metabotropic glutamate receptor 5

A redox-regulated disulphide may form within Metabotropic glutamate receptor 5 between cysteines 241 and 530.

Details

Redox score ?
80
PDB code
6n4x
Structure name
metabotropic glutamate receptor 5 apo form ligand binding domain
Structure deposition date
2018-11-20
Thiol separation (Å)
2
Half-sphere exposure sum ?
68
Minimum pKa ?
nan
% buried
nan
Peptide accession
P41594
Residue number A
241
Residue number B
530
Peptide name
Metabotropic glutamate receptor 5

Ligandability

Cysteine 241 of Metabotropic glutamate receptor 5

Cysteine 530 of Metabotropic glutamate receptor 5

A redox-regulated disulphide may form within Metabotropic glutamate receptor 5 between cysteines 530 and 531.

Details

Redox score ?
65
PDB code
6n50
Structure name
metabotropic glutamate receptor 5 extracellular domain in complex with nb43 and l-quisqualic acid
Structure deposition date
2018-11-20
Thiol separation (Å)
5
Half-sphere exposure sum ?
65
Minimum pKa ?
nan
% buried
nan
Peptide accession
P41594
Residue number A
530
Residue number B
531
Peptide name
Metabotropic glutamate receptor 5

Ligandability

Cysteine 530 of Metabotropic glutamate receptor 5

Cysteine 531 of Metabotropic glutamate receptor 5

A redox-regulated disulphide may form within Metabotropic glutamate receptor 5 between cysteines 511 and 530. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
57
PDB code
6n4y
Structure name
metabotropic glutamate receptor 5 extracellular domain with nb43
Structure deposition date
2018-11-20
Thiol separation (Å)
7
Half-sphere exposure sum ?
62
Minimum pKa ?
nan
% buried
nan
Peptide accession
P41594
Residue number A
511
Residue number B
530
Peptide name
Metabotropic glutamate receptor 5

Ligandability

Cysteine 511 of Metabotropic glutamate receptor 5

Cysteine 530 of Metabotropic glutamate receptor 5

A redox-regulated disulphide may form within Metabotropic glutamate receptor 5 between cysteines 241 and 531. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
55
PDB code
6n4x
Structure name
metabotropic glutamate receptor 5 apo form ligand binding domain
Structure deposition date
2018-11-20
Thiol separation (Å)
6
Half-sphere exposure sum ?
64
Minimum pKa ?
nan
% buried
nan
Peptide accession
P41594
Residue number A
241
Residue number B
531
Peptide name
Metabotropic glutamate receptor 5

Ligandability

Cysteine 241 of Metabotropic glutamate receptor 5

Cysteine 531 of Metabotropic glutamate receptor 5

A redox-regulated disulphide may form within Metabotropic glutamate receptor 5 between cysteines 276 and 278. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
52
PDB code
6n51
Structure name
metabotropic glutamate receptor 5 bound to l-quisqualate and nb43
Structure deposition date
2018-11-20
Thiol separation (Å)
5
Half-sphere exposure sum ?
86
Minimum pKa ?
12
% buried
100
Peptide accession
P41594
Residue number A
276
Residue number B
278
Peptide name
Metabotropic glutamate receptor 5

Ligandability

Cysteine 276 of Metabotropic glutamate receptor 5

Cysteine 278 of Metabotropic glutamate receptor 5

A redox-regulated disulphide may form within Metabotropic glutamate receptor 5 between cysteines 631 and 634. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
51
PDB code
5cgc
Structure name
structure of the human class c gpcr metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-4-fluoro-5-[6-(1h-pyrazol-1-yl)pyrimidin-4- yl]benzonitrile
Structure deposition date
2015-07-09
Thiol separation (Å)
6
Half-sphere exposure sum ?
80
Minimum pKa ?
11
% buried
83
Peptide accession
P41594
Residue number A
631
Residue number B
634
Peptide name
Metabotropic glutamate receptor 5

Ligandability

Cysteine 631 of Metabotropic glutamate receptor 5

Cysteine 634 of Metabotropic glutamate receptor 5

A redox-regulated disulphide may form within Metabotropic glutamate receptor 5 between cysteines 549 and 552. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
6n50
Structure name
metabotropic glutamate receptor 5 extracellular domain in complex with nb43 and l-quisqualic acid
Structure deposition date
2018-11-20
Thiol separation (Å)
9
Half-sphere exposure sum ?
50
Minimum pKa ?
nan
% buried
nan
Peptide accession
P41594
Residue number A
549
Residue number B
552
Peptide name
Metabotropic glutamate receptor 5

Ligandability

Cysteine 549 of Metabotropic glutamate receptor 5

Cysteine 552 of Metabotropic glutamate receptor 5

A redox-regulated disulphide may form within Metabotropic glutamate receptor 5 between cysteines 241 and 511. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
6n4y
Structure name
metabotropic glutamate receptor 5 extracellular domain with nb43
Structure deposition date
2018-11-20
Thiol separation (Å)
8
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide accession
P41594
Residue number A
241
Residue number B
511
Peptide name
Metabotropic glutamate receptor 5

Ligandability

Cysteine 241 of Metabotropic glutamate receptor 5

Cysteine 511 of Metabotropic glutamate receptor 5

A redox-regulated disulphide may form within Metabotropic glutamate receptor 5 between cysteines 515 and 537. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
6n4y
Structure name
metabotropic glutamate receptor 5 extracellular domain with nb43
Structure deposition date
2018-11-20
Thiol separation (Å)
10
Half-sphere exposure sum ?
41
Minimum pKa ?
nan
% buried
nan
Peptide accession
P41594
Residue number A
515
Residue number B
537
Peptide name
Metabotropic glutamate receptor 5

Ligandability

Cysteine 515 of Metabotropic glutamate receptor 5

Cysteine 537 of Metabotropic glutamate receptor 5

A redox-regulated disulphide may form within Metabotropic glutamate receptor 5 between cysteines 754 and 782. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
5cgd
Structure name
structure of the human class c gpcr metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4- yl]benzonitrile - (htl14242)
Structure deposition date
2015-07-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
66
Minimum pKa ?
10
% buried
74
Peptide accession
P41594
Residue number A
754
Residue number B
782
Peptide name
Metabotropic glutamate receptor 5

Ligandability

Cysteine 754 of Metabotropic glutamate receptor 5

Cysteine 782 of Metabotropic glutamate receptor 5

A redox-regulated disulphide may form within Metabotropic glutamate receptor 5 between cysteines 634 and 733. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
5cgd
Structure name
structure of the human class c gpcr metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4- yl]benzonitrile - (htl14242)
Structure deposition date
2015-07-09
Thiol separation (Å)
10
Half-sphere exposure sum ?
69
Minimum pKa ?
11
% buried
nan
Peptide accession
P41594
Residue number A
634
Residue number B
733
Peptide name
Metabotropic glutamate receptor 5

Ligandability

Cysteine 634 of Metabotropic glutamate receptor 5

Cysteine 733 of Metabotropic glutamate receptor 5

A redox-regulated disulphide may form within Metabotropic glutamate receptor 5 between cysteines 631 and 803. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
5cgd
Structure name
structure of the human class c gpcr metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4- yl]benzonitrile - (htl14242)
Structure deposition date
2015-07-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
80
Minimum pKa ?
12
% buried
96
Peptide accession
P41594
Residue number A
631
Residue number B
803
Peptide name
Metabotropic glutamate receptor 5

Ligandability

Cysteine 631 of Metabotropic glutamate receptor 5

Cysteine 803 of Metabotropic glutamate receptor 5

A redox-regulated disulphide may form within Metabotropic glutamate receptor 5 between cysteines 626 and 631. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
6ffi
Structure name
crystal structure of mglur5 in complex with mmpep at 2
Structure deposition date
2018-01-08
Thiol separation (Å)
10
Half-sphere exposure sum ?
82
Minimum pKa ?
nan
% buried
nan
Peptide accession
P41594
Residue number A
626
Residue number B
631
Peptide name
Metabotropic glutamate receptor 5

Ligandability

Cysteine 626 of Metabotropic glutamate receptor 5

Cysteine 631 of Metabotropic glutamate receptor 5

A redox-regulated disulphide may form within Metabotropic glutamate receptor 5 between cysteines 634 and 644. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
5cgd
Structure name
structure of the human class c gpcr metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4- yl]benzonitrile - (htl14242)
Structure deposition date
2015-07-09
Thiol separation (Å)
10
Half-sphere exposure sum ?
71
Minimum pKa ?
11
% buried
nan
Peptide accession
P41594
Residue number A
634
Residue number B
644
Peptide name
Metabotropic glutamate receptor 5

Ligandability

Cysteine 634 of Metabotropic glutamate receptor 5

Cysteine 644 of Metabotropic glutamate receptor 5

A redox-regulated disulphide may form within Metabotropic glutamate receptor 5 between cysteines 634 and 803. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
5cgc
Structure name
structure of the human class c gpcr metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-4-fluoro-5-[6-(1h-pyrazol-1-yl)pyrimidin-4- yl]benzonitrile
Structure deposition date
2015-07-09
Thiol separation (Å)
10
Half-sphere exposure sum ?
75
Minimum pKa ?
11
% buried
82
Peptide accession
P41594
Residue number A
634
Residue number B
803
Peptide name
Metabotropic glutamate receptor 5

Ligandability

Cysteine 634 of Metabotropic glutamate receptor 5

Cysteine 803 of Metabotropic glutamate receptor 5

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