ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Cyanocobalamin reductase / alkylcobalamin dealkylase

Intermolecular
Cysteine 70 and cysteine 70
Intramolecular
Cysteine 70 and cysteine 82
Cysteine 149 and cysteine 182
A redox-regulated disulphide may form between two units of Cyanocobalamin reductase / alkylcobalamin dealkylase at cysteines 70 and 70.

Details

Redox score ?
62
PDB code
3som
Structure name
crystal structure of human mmachc
Structure deposition date
2011-06-30
Thiol separation (Å)
6
Half-sphere exposure sum ?
41
Minimum pKa ?
9
% buried
17
Peptide A name
Cyanocobalamin reductase / alkylcobalamin dealkylase
Peptide B name
Cyanocobalamin reductase / alkylcobalamin dealkylase
Peptide A accession
Q9Y4U1
Peptide B accession
Q9Y4U1
Peptide A residue number
70
Peptide B residue number
70

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 Cyanocobalamin reductase / alkylcobalamin dealkylase between cysteines 70 and 82. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
50
PDB code
7wuz
Structure name
structural study of the complex of cblc methylmalonic aciduria and homocysteinuria-related protein mmachc with cyanocobalamin
Structure deposition date
2022-02-09
Thiol separation (Å)
8
Half-sphere exposure sum ?
56
Minimum pKa ?
9
% buried
42
Peptide accession
Q9Y4U1
Residue number A
70
Residue number B
82
Peptide name
Cyanocobalamin reductase / alkylcobalamin dealkylase

Ligandability

Cysteine 70 of Cyanocobalamin reductase / alkylcobalamin dealkylase

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 82 of Cyanocobalamin reductase / alkylcobalamin dealkylase

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 Cyanocobalamin reductase / alkylcobalamin dealkylase between cysteines 149 and 182. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
30
PDB code
7wuz
Structure name
structural study of the complex of cblc methylmalonic aciduria and homocysteinuria-related protein mmachc with cyanocobalamin
Structure deposition date
2022-02-09
Thiol separation (Å)
10
Half-sphere exposure sum ?
74
Minimum pKa ?
11
% buried
78
Peptide accession
Q9Y4U1
Residue number A
149
Residue number B
182
Peptide name
Cyanocobalamin reductase / alkylcobalamin dealkylase

Ligandability

Cysteine 149 of Cyanocobalamin reductase / alkylcobalamin dealkylase

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 182 of Cyanocobalamin reductase / alkylcobalamin dealkylase

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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