ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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NAD-dependent malic enzyme, mitochondrial

Intramolecular
Cysteine 428 and cysteine 441
Cysteine 120 and cysteine 202
Cysteine 185 and cysteine 198
Cysteine 185 and cysteine 190
A redox-regulated disulphide may form within NAD-dependent malic enzyme, mitochondrial between cysteines 428 and 441. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
37
PDB code
1efl
Structure name
human malic enzyme in a quaternary complex with nad, mg, and tartronate
Structure deposition date
2000-02-09
Thiol separation (Å)
8
Half-sphere exposure sum ?
81
Minimum pKa ?
12
% buried
100
Peptide accession
P23368
Residue number A
428
Residue number B
441
Peptide name
NAD-dependent malic enzyme, mitochondrial

Ligandability

Cysteine 428 of NAD-dependent malic enzyme, mitochondrial

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 441 of NAD-dependent malic enzyme, mitochondrial

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 NAD-dependent malic enzyme, mitochondrial between cysteines 120 and 202. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
1qr6
Structure name
human mitochondrial nad(p)-dependent malic enzyme
Structure deposition date
1999-06-18
Thiol separation (Å)
9
Half-sphere exposure sum ?
82
Minimum pKa ?
13
% buried
100
Peptide accession
P23368
Residue number A
120
Residue number B
202
Peptide name
NAD-dependent malic enzyme, mitochondrial

Ligandability

Cysteine 120 of NAD-dependent malic enzyme, mitochondrial

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 202 of NAD-dependent malic enzyme, mitochondrial

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 NAD-dependent malic enzyme, mitochondrial between cysteines 185 and 198. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
31
PDB code
7bsj
Structure name
crystal structure of human me2 r484w
Structure deposition date
2020-03-30
Thiol separation (Å)
9
Half-sphere exposure sum ?
86
Minimum pKa ?
12
% buried
100
Peptide accession
P23368
Residue number A
185
Residue number B
198
Peptide name
NAD-dependent malic enzyme, mitochondrial

Ligandability

Cysteine 185 of NAD-dependent malic enzyme, mitochondrial

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 198 of NAD-dependent malic enzyme, mitochondrial

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 NAD-dependent malic enzyme, mitochondrial between cysteines 185 and 190. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
30
PDB code
1efk
Structure name
structure of human malic enzyme in complex with ketomalonate
Structure deposition date
2000-02-09
Thiol separation (Å)
9
Half-sphere exposure sum ?
84
Minimum pKa ?
12
% buried
100
Peptide accession
P23368
Residue number A
185
Residue number B
190
Peptide name
NAD-dependent malic enzyme, mitochondrial

Ligandability

Cysteine 185 of NAD-dependent malic enzyme, mitochondrial

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 190 of NAD-dependent malic enzyme, mitochondrial

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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