ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B

Intermolecular
Cysteine 157 and cysteine 157
Cysteine 165 and cysteine 157
Intramolecular
Cysteine 165 and cysteine 237
A redox-regulated disulphide may form between two units of Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B at cysteines 157 and 157. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
46
PDB code
5b25
Structure name
crystal structure of human pde1b with inhibitor 3
Structure deposition date
2016-01-07
Thiol separation (Å)
7
Half-sphere exposure sum ?
77
Minimum pKa ?
11
% buried
80
Peptide A name
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
Peptide B name
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
Peptide A accession
Q01064
Peptide B accession
Q01064
Peptide A residue number
157
Peptide B residue number
157

Ligandability

A redox-regulated disulphide may form between two units of Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B at cysteines 165 and 157. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
33
PDB code
5b25
Structure name
crystal structure of human pde1b with inhibitor 3
Structure deposition date
2016-01-07
Thiol separation (Å)
10
Half-sphere exposure sum ?
67
Minimum pKa ?
10
% buried
68
Peptide A name
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
Peptide B name
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
Peptide A accession
Q01064
Peptide B accession
Q01064
Peptide A residue number
165
Peptide B residue number
157

Ligandability

Cysteine 165 of Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B

Cysteine 157 of Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B

A redox-regulated disulphide may form within Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B between cysteines 165 and 237. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
40
PDB code
5b25
Structure name
crystal structure of human pde1b with inhibitor 3
Structure deposition date
2016-01-07
Thiol separation (Å)
8
Half-sphere exposure sum ?
65
Minimum pKa ?
10
% buried
76
Peptide accession
Q01064
Residue number A
165
Residue number B
237
Peptide name
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B

Ligandability

Cysteine 165 of Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B

Cysteine 237 of Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B

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