ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Home
About
List

NADP-dependent malic enzyme, mitochondrial

Intermolecular
Cysteine 82 and cysteine 199
Intramolecular
Cysteine 450 and cysteine 455
Cysteine 275 and cysteine 299
Cysteine 223 and cysteine 275
A redox-regulated disulphide may form between two units of NADP-dependent malic enzyme, mitochondrial at cysteines 82 and 199 (34 and 151 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
8e78
Structure name
cryo-em structure of human me3 in the presence of citrate
Structure deposition date
2022-08-23
Thiol separation (Å)
8
Half-sphere exposure sum ?
87
Minimum pKa ?
10
% buried
100
Peptide A name
NADP-dependent malic enzyme, mitochondrial
Peptide B name
NADP-dependent malic enzyme, mitochondrial
Peptide A accession
Q16798
Peptide B accession
Q16798
Peptide A residue number
82
Peptide B residue number
199

Ligandability

Cysteine 82 of NADP-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 199 of NADP-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 NADP-dependent malic enzyme, mitochondrial between cysteines 450 and 455. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
53
PDB code
8eyo
Structure name
crystal structure of human mitochondrial nadp+ malic enzyme 3 with nadp bound
Structure deposition date
2022-10-28
Thiol separation (Å)
5
Half-sphere exposure sum ?
85
Minimum pKa ?
12
% buried
98
Peptide accession
Q16798
Residue number A
450
Residue number B
455
Peptide name
NADP-dependent malic enzyme, mitochondrial

Ligandability

Cysteine 450 of NADP-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 455 of NADP-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 NADP-dependent malic enzyme, mitochondrial between cysteines 275 and 299. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
8eyn
Structure name
crystal structure of human mitochondrial nadp+ malic enzyme 3 in apo form
Structure deposition date
2022-10-28
Thiol separation (Å)
8
Half-sphere exposure sum ?
82
Minimum pKa ?
12
% buried
100
Peptide accession
Q16798
Residue number A
275
Residue number B
299
Peptide name
NADP-dependent malic enzyme, mitochondrial

Ligandability

Cysteine 275 of NADP-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 299 of NADP-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 NADP-dependent malic enzyme, mitochondrial between cysteines 223 and 275. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
34
PDB code
8eyo
Structure name
crystal structure of human mitochondrial nadp+ malic enzyme 3 with nadp bound
Structure deposition date
2022-10-28
Thiol separation (Å)
9
Half-sphere exposure sum ?
80
Minimum pKa ?
12
% buried
100
Peptide accession
Q16798
Residue number A
223
Residue number B
275
Peptide name
NADP-dependent malic enzyme, mitochondrial

Ligandability

Cysteine 223 of NADP-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 275 of NADP-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.

If this tool was useful for finding a disulphide, please cite: