ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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ADP-ribose glycohydrolase MACROD1

Intramolecular
Cysteine 205 and cysteine 246
Cysteine 266 and cysteine 276
Cysteine 199 and cysteine 205
Cysteine 266 and cysteine 304
A redox-regulated disulphide may form within ADP-ribose glycohydrolase MACROD1 between cysteines 205 and 246. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
6lh4
Structure name
crystal structural of macrod1-adpr complex
Structure deposition date
2019-12-06
Thiol separation (Å)
8
Half-sphere exposure sum ?
69
Minimum pKa ?
11
% buried
74
Peptide accession
Q9BQ69
Residue number A
205
Residue number B
246
Peptide name
ADP-ribose glycohydrolase MACROD1

Ligandability

Cysteine 205 of ADP-ribose glycohydrolase MACROD1

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 246 of ADP-ribose glycohydrolase MACROD1

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-ribose glycohydrolase MACROD1 between cysteines 266 and 276. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
48
PDB code
6lh4
Structure name
crystal structural of macrod1-adpr complex
Structure deposition date
2019-12-06
Thiol separation (Å)
7
Half-sphere exposure sum ?
86
Minimum pKa ?
11
% buried
73
Peptide accession
Q9BQ69
Residue number A
266
Residue number B
276
Peptide name
ADP-ribose glycohydrolase MACROD1

Ligandability

Cysteine 266 of ADP-ribose glycohydrolase MACROD1

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 276 of ADP-ribose glycohydrolase MACROD1

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-ribose glycohydrolase MACROD1 between cysteines 199 and 205. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
39
PDB code
6lh4
Structure name
crystal structural of macrod1-adpr complex
Structure deposition date
2019-12-06
Thiol separation (Å)
10
Half-sphere exposure sum ?
65
Minimum pKa ?
11
% buried
66
Peptide accession
Q9BQ69
Residue number A
199
Residue number B
205
Peptide name
ADP-ribose glycohydrolase MACROD1

Ligandability

Cysteine 199 of ADP-ribose glycohydrolase MACROD1

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 205 of ADP-ribose glycohydrolase MACROD1

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-ribose glycohydrolase MACROD1 between cysteines 266 and 304. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
30
PDB code
6lh4
Structure name
crystal structural of macrod1-adpr complex
Structure deposition date
2019-12-06
Thiol separation (Å)
9
Half-sphere exposure sum ?
88
Minimum pKa ?
12
% buried
100
Peptide accession
Q9BQ69
Residue number A
266
Residue number B
304
Peptide name
ADP-ribose glycohydrolase MACROD1

Ligandability

Cysteine 266 of ADP-ribose glycohydrolase MACROD1

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 304 of ADP-ribose glycohydrolase MACROD1

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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