ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

NAD(P)H-hydrate epimerase

Intermolecular
Cysteine 277 and cysteine 277
Intramolecular
Cysteine 85 and cysteine 121
Cysteine 109 and cysteine 152
Cysteine 121 and cysteine 152
Cysteine 109 and cysteine 121
Cysteine 85 and cysteine 277
A redox-regulated disulphide may form between two units of NAD(P)H-hydrate epimerase at cysteines 277 and 277 (253 and 253 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
3roe
Structure name
crystal structure of mouse apolipoprotein a-i binding protein in complex with thymidine
Structure deposition date
2011-04-25
Thiol separation (Å)
8
Half-sphere exposure sum ?
80
Minimum pKa ?
11
% buried
100
Peptide A name
NAD(P)H-hydrate epimerase
Peptide B name
NAD(P)H-hydrate epimerase
Peptide A accession
Q8K4Z3
Peptide B accession
Q8K4Z3
Peptide A residue number
277
Peptide B residue number
277

Ligandability

A redox-regulated disulphide may form within NAD(P)H-hydrate epimerase between cysteines 85 and 121 (61 and 97 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
49
PDB code
3rox
Structure name
crystal structure of mouse apolipoprotein a-i binding protein in complex with theophylline
Structure deposition date
2011-04-26
Thiol separation (Å)
5
Half-sphere exposure sum ?
94
Minimum pKa ?
13
% buried
100
Peptide accession
Q8K4Z3
Residue number A
85
Residue number B
121
Peptide name
NAD(P)H-hydrate epimerase

Ligandability

Cysteine 85 of NAD(P)H-hydrate epimerase

Cysteine 121 of NAD(P)H-hydrate epimerase

A redox-regulated disulphide may form within NAD(P)H-hydrate epimerase between cysteines 109 and 152 (85 and 128 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
42
PDB code
3roe
Structure name
crystal structure of mouse apolipoprotein a-i binding protein in complex with thymidine
Structure deposition date
2011-04-25
Thiol separation (Å)
7
Half-sphere exposure sum ?
84
Minimum pKa ?
12
% buried
100
Peptide accession
Q8K4Z3
Residue number A
109
Residue number B
152
Peptide name
NAD(P)H-hydrate epimerase

Ligandability

Cysteine 109 of NAD(P)H-hydrate epimerase

Cysteine 152 of NAD(P)H-hydrate epimerase

A redox-regulated disulphide may form within NAD(P)H-hydrate epimerase between cysteines 121 and 152 (97 and 128 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
3roz
Structure name
crystal structure of mouse apolipoprotein a-i binding protein in complex with nicotinamide
Structure deposition date
2011-04-26
Thiol separation (Å)
10
Half-sphere exposure sum ?
79
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q8K4Z3
Residue number A
121
Residue number B
152
Peptide name
NAD(P)H-hydrate epimerase

Ligandability

Cysteine 121 of NAD(P)H-hydrate epimerase

Cysteine 152 of NAD(P)H-hydrate epimerase

A redox-regulated disulphide may form within NAD(P)H-hydrate epimerase between cysteines 109 and 121 (85 and 97 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
3rno
Structure name
crystal structure of mouse apolipoprotein a-i binding protein in complex with nadp
Structure deposition date
2011-04-22
Thiol separation (Å)
8
Half-sphere exposure sum ?
91
Minimum pKa ?
13
% buried
100
Peptide accession
Q8K4Z3
Residue number A
109
Residue number B
121
Peptide name
NAD(P)H-hydrate epimerase

Ligandability

Cysteine 109 of NAD(P)H-hydrate epimerase

Cysteine 121 of NAD(P)H-hydrate epimerase

A redox-regulated disulphide may form within NAD(P)H-hydrate epimerase between cysteines 85 and 277 (61 and 253 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
3roe
Structure name
crystal structure of mouse apolipoprotein a-i binding protein in complex with thymidine
Structure deposition date
2011-04-25
Thiol separation (Å)
9
Half-sphere exposure sum ?
89
Minimum pKa ?
11
% buried
100
Peptide accession
Q8K4Z3
Residue number A
85
Residue number B
277
Peptide name
NAD(P)H-hydrate epimerase

Ligandability

Cysteine 85 of NAD(P)H-hydrate epimerase

Cysteine 277 of NAD(P)H-hydrate epimerase

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