ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Type-2 angiotensin II receptor

Intramolecular
Cysteine 35 and cysteine 290
Cysteine 117 and cysteine 195
Cysteine 169 and cysteine 172
Cysteine 70 and cysteine 71
Cysteine 71 and cysteine 319
Cysteine 268 and cysteine 312
Cysteine 137 and cysteine 230
A redox-regulated disulphide may form within Type-2 angiotensin II receptor between cysteines 35 and 290.

Details

Redox score ?
91
PDB code
7c6a
Structure name
crystal structure of at2r-bril and srp2070_fab complex
Structure deposition date
2020-05-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
nan
Minimum pKa ?
nan
% buried
nan
Peptide accession
P50052
Residue number A
35
Residue number B
290
Peptide name
Type-2 angiotensin II receptor

Ligandability

Cysteine 35 of Type-2 angiotensin II receptor

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 290 of Type-2 angiotensin II receptor

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 Type-2 angiotensin II receptor between cysteines 117 and 195.

Details

Redox score ?
83
PDB code
7c6a
Structure name
crystal structure of at2r-bril and srp2070_fab complex
Structure deposition date
2020-05-21
Thiol separation (Å)
2
Half-sphere exposure sum ?
79
Minimum pKa ?
nan
% buried
nan
Peptide accession
P50052
Residue number A
117
Residue number B
195
Peptide name
Type-2 angiotensin II receptor

Ligandability

Cysteine 117 of Type-2 angiotensin II receptor

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 195 of Type-2 angiotensin II receptor

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 Type-2 angiotensin II receptor between cysteines 169 and 172.

Details

Redox score ?
63
PDB code
6jod
Structure name
angiotensin ii type 2 receptor with ligand
Structure deposition date
2019-03-20
Thiol separation (Å)
6
Half-sphere exposure sum ?
45
Minimum pKa ?
9
% buried
8
Peptide accession
P50052
Residue number A
169
Residue number B
172
Peptide name
Type-2 angiotensin II receptor

Ligandability

Cysteine 169 of Type-2 angiotensin II receptor

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 172 of Type-2 angiotensin II receptor

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 Type-2 angiotensin II receptor between cysteines 70 and 71. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
5xjm
Structure name
complex structure of angiotensin ii type 2 receptor with fab
Structure deposition date
2017-05-02
Thiol separation (Å)
9
Half-sphere exposure sum ?
30
Minimum pKa ?
9
% buried
0
Peptide accession
P50052
Residue number A
70
Residue number B
71
Peptide name
Type-2 angiotensin II receptor

Ligandability

Cysteine 70 of Type-2 angiotensin II receptor

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 Type-2 angiotensin II receptor

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 Type-2 angiotensin II receptor between cysteines 71 and 319. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
44
PDB code
5unf
Structure name
xfel structure of human angiotensin ii type 2 receptor (monoclinic form) in complex with compound 1 (n-benzyl-n-(2-ethyl-4-oxo-3-{[2'- (2h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl])
Structure deposition date
2017-01-30
Thiol separation (Å)
10
Half-sphere exposure sum ?
43
Minimum pKa ?
9
% buried
24
Peptide accession
P50052
Residue number A
71
Residue number B
319
Peptide name
Type-2 angiotensin II receptor

Ligandability

Cysteine 71 of Type-2 angiotensin II receptor

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 319 of Type-2 angiotensin II receptor

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 Type-2 angiotensin II receptor between cysteines 268 and 312. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
7jni
Structure name
crystal structure of the angiotensin ii type 2 receptoror (at2r) in complex with ema401
Structure deposition date
2020-08-04
Thiol separation (Å)
9
Half-sphere exposure sum ?
66
Minimum pKa ?
12
% buried
80
Peptide accession
P50052
Residue number A
268
Residue number B
312
Peptide name
Type-2 angiotensin II receptor

Ligandability

Cysteine 268 of Type-2 angiotensin II receptor

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 312 of Type-2 angiotensin II receptor

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 Type-2 angiotensin II receptor between cysteines 137 and 230. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
26
PDB code
7jni
Structure name
crystal structure of the angiotensin ii type 2 receptoror (at2r) in complex with ema401
Structure deposition date
2020-08-04
Thiol separation (Å)
10
Half-sphere exposure sum ?
70
Minimum pKa ?
12
% buried
94
Peptide accession
P50052
Residue number A
137
Residue number B
230
Peptide name
Type-2 angiotensin II receptor

Ligandability

Cysteine 137 of Type-2 angiotensin II receptor

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 230 of Type-2 angiotensin II receptor

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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