ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

Mitogen-activated protein kinase kinase kinase 20

Intermolecular
Cysteine 22 and cysteine 285 L
Intramolecular
Cysteine 231 and cysteine 273
Cysteine 22 and cysteine 150 L
A redox-regulated disulphide may form between two units of Mitogen-activated protein kinase kinase kinase 20 at cysteines 22 and 285. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
5hes
Structure name
human leucine zipper- and sterile alpha motif-containing kinase (zak, mlt, hccs-4, mrk, azk, mltk) in complex with vemurafenib
Structure deposition date
2016-01-06
Thiol separation (Å)
10
Half-sphere exposure sum ?
67
Minimum pKa ?
10
% buried
58
Peptide A name
Mitogen-activated protein kinase kinase kinase 20
Peptide B name
Mitogen-activated protein kinase kinase kinase 20
Peptide A accession
Q9NYL2
Peptide B accession
Q9NYL2
Peptide A residue number
22
Peptide B residue number
285

Ligandability

Cysteine 22 of Mitogen-activated protein kinase kinase kinase 20

Cysteine 285 of Mitogen-activated protein kinase kinase kinase 20

A redox-regulated disulphide may form within Mitogen-activated protein kinase kinase kinase 20 between cysteines 231 and 273. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
47
PDB code
5x5o
Structure name
crystal structure of zak in complex with compound d2829
Structure deposition date
2017-02-17
Thiol separation (Å)
7
Half-sphere exposure sum ?
66
Minimum pKa ?
12
% buried
76
Peptide accession
Q9NYL2
Residue number A
231
Residue number B
273
Peptide name
Mitogen-activated protein kinase kinase kinase 20

Ligandability

Cysteine 231 of Mitogen-activated protein kinase kinase kinase 20

Cysteine 273 of Mitogen-activated protein kinase kinase kinase 20

A redox-regulated disulphide may form within Mitogen-activated protein kinase kinase kinase 20 between cysteines 22 and 150. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
35
PDB code
6jut
Structure name
crystal structure of zak in complex with compound 6k
Structure deposition date
2019-04-15
Thiol separation (Å)
9
Half-sphere exposure sum ?
73
Minimum pKa ?
11
% buried
79
Peptide accession
Q9NYL2
Residue number A
22
Residue number B
150
Peptide name
Mitogen-activated protein kinase kinase kinase 20

Ligandability

Cysteine 22 of Mitogen-activated protein kinase kinase kinase 20

Cysteine 150 of Mitogen-activated protein kinase kinase kinase 20

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