ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

Intermolecular
Cysteine 271 and cysteine 271
Intramolecular
Cysteine 271 and cysteine 280
Cysteine 238 and cysteine 259
Cysteine 51 and cysteine 67
Cysteine 83 and cysteine 163
Cysteine 144 and cysteine 157
Cysteine 83 and cysteine 144
Cysteine 144 and cysteine 163
Cysteine 157 and cysteine 163
Cysteine 83 and cysteine 157
A redox-regulated disulphide may form between two units of ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2 at cysteines 271 and 271 (239 and 239 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
1isj
Structure name
crystal structure analysis of bst-1/cd157 complexed with nmn
Structure deposition date
2001-12-05
Thiol separation (Å)
10
Half-sphere exposure sum ?
69
Minimum pKa ?
nan
% buried
nan
Peptide A name
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2
Peptide B name
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2
Peptide A accession
Q10588
Peptide B accession
Q10588
Peptide A residue number
271
Peptide B residue number
271

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 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2 between cysteines 271 and 280 (239 and 248 respectively in this structure).

Details

Redox score ?
85
PDB code
1ism
Structure name
crystal structure analysis of bst-1/cd157 complexed with nicotinamide
Structure deposition date
2001-12-05
Thiol separation (Å)
2
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q10588
Residue number A
271
Residue number B
280
Peptide name
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

Ligandability

Cysteine 271 of ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

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 280 of ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

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 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2 between cysteines 238 and 259 (206 and 227 respectively in this structure).

Details

Redox score ?
85
PDB code
1ism
Structure name
crystal structure analysis of bst-1/cd157 complexed with nicotinamide
Structure deposition date
2001-12-05
Thiol separation (Å)
2
Half-sphere exposure sum ?
63
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q10588
Residue number A
238
Residue number B
259
Peptide name
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

Ligandability

Cysteine 238 of ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

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 259 of ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

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 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2 between cysteines 51 and 67 (19 and 35 respectively in this structure).

Details

Redox score ?
83
PDB code
1isi
Structure name
crystal structure analysis of bst-1/cd157 complexed with ethenonad
Structure deposition date
2001-12-05
Thiol separation (Å)
2
Half-sphere exposure sum ?
74
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q10588
Residue number A
51
Residue number B
67
Peptide name
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

Ligandability

Cysteine 51 of ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

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 67 of ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

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 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2 between cysteines 83 and 163 (51 and 131 respectively in this structure).

Details

Redox score ?
82
PDB code
1isg
Structure name
crystal structure analysis of bst-1/cd157 with atpgammas
Structure deposition date
2001-12-05
Thiol separation (Å)
2
Half-sphere exposure sum ?
53
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q10588
Residue number A
83
Residue number B
163
Peptide name
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

Ligandability

Cysteine 83 of ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

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 163 of ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

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 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2 between cysteines 144 and 157 (112 and 125 respectively in this structure).

Details

Redox score ?
81
PDB code
1ism
Structure name
crystal structure analysis of bst-1/cd157 complexed with nicotinamide
Structure deposition date
2001-12-05
Thiol separation (Å)
2
Half-sphere exposure sum ?
80
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q10588
Residue number A
144
Residue number B
157
Peptide name
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

Ligandability

Cysteine 144 of ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

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 157 of ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

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 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2 between cysteines 83 and 144 (51 and 112 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
1isi
Structure name
crystal structure analysis of bst-1/cd157 complexed with ethenonad
Structure deposition date
2001-12-05
Thiol separation (Å)
9
Half-sphere exposure sum ?
76
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q10588
Residue number A
83
Residue number B
144
Peptide name
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

Ligandability

Cysteine 83 of ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

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 144 of ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

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 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2 between cysteines 144 and 163 (112 and 131 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
1isj
Structure name
crystal structure analysis of bst-1/cd157 complexed with nmn
Structure deposition date
2001-12-05
Thiol separation (Å)
9
Half-sphere exposure sum ?
67
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q10588
Residue number A
144
Residue number B
163
Peptide name
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

Ligandability

Cysteine 144 of ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

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 163 of ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

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 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2 between cysteines 157 and 163 (125 and 131 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
1isj
Structure name
crystal structure analysis of bst-1/cd157 complexed with nmn
Structure deposition date
2001-12-05
Thiol separation (Å)
10
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q10588
Residue number A
157
Residue number B
163
Peptide name
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

Ligandability

Cysteine 157 of ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

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 163 of ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

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 ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2 between cysteines 83 and 157 (51 and 125 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
36
PDB code
1ism
Structure name
crystal structure analysis of bst-1/cd157 complexed with nicotinamide
Structure deposition date
2001-12-05
Thiol separation (Å)
10
Half-sphere exposure sum ?
66
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q10588
Residue number A
83
Residue number B
157
Peptide name
ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

Ligandability

Cysteine 83 of ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

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 157 of ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 2

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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