ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Maternal embryonic leucine zipper kinase

Intramolecular
Cysteine 154 and cysteine 168 L
Cysteine 70 and cysteine 89
Cysteine 168 and cysteine 169 L
Cysteine 154 and cysteine 169 L
A redox-regulated disulphide may form within Maternal embryonic leucine zipper kinase between cysteines 154 and 168.

Details

Redox score ?
84
PDB code
4ixp
Structure name
crystal structure of maternal embryonic leucine zipper kinase (melk)
Structure deposition date
2013-01-27
Thiol separation (Å)
2
Half-sphere exposure sum ?
57
Minimum pKa ?
nan
% buried
nan
Peptide accession
Q14680
Residue number A
154
Residue number B
168
Peptide name
Maternal embryonic leucine zipper kinase

Ligandability

Cysteine 154 of Maternal embryonic leucine zipper kinase

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 168 of Maternal embryonic leucine zipper kinase

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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Maternal embryonic leucine zipper kinase between cysteines 70 and 89.

Details

Redox score ?
77
PDB code
5mai
Structure name
crystal structure of melk in complex with an inhibitor
Structure deposition date
2016-11-03
Thiol separation (Å)
3
Half-sphere exposure sum ?
66
Minimum pKa ?
9
% buried
98
Peptide accession
Q14680
Residue number A
70
Residue number B
89
Peptide name
Maternal embryonic leucine zipper kinase

Ligandability

Cysteine 70 of Maternal embryonic leucine zipper kinase

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 89 of Maternal embryonic leucine zipper kinase

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 Maternal embryonic leucine zipper kinase between cysteines 168 and 169. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
54
PDB code
4ixp
Structure name
crystal structure of maternal embryonic leucine zipper kinase (melk)
Structure deposition date
2013-01-27
Thiol separation (Å)
8
Half-sphere exposure sum ?
46
Minimum pKa ?
9
% buried
nan
Peptide accession
Q14680
Residue number A
168
Residue number B
169
Peptide name
Maternal embryonic leucine zipper kinase

Ligandability

Cysteine 168 of Maternal embryonic leucine zipper kinase

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.

Ligandable in the dataset of Kuljanin et al.

Cysteine 169 of Maternal embryonic leucine zipper kinase

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.

Ligandable in the dataset of Kuljanin et al.

A redox-regulated disulphide may form within Maternal embryonic leucine zipper kinase between cysteines 154 and 169. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
4ixp
Structure name
crystal structure of maternal embryonic leucine zipper kinase (melk)
Structure deposition date
2013-01-27
Thiol separation (Å)
9
Half-sphere exposure sum ?
55
Minimum pKa ?
9
% buried
nan
Peptide accession
Q14680
Residue number A
154
Residue number B
169
Peptide name
Maternal embryonic leucine zipper kinase

Ligandability

Cysteine 154 of Maternal embryonic leucine zipper kinase

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 169 of Maternal embryonic leucine zipper kinase

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.

Ligandable in the dataset of Kuljanin et al.

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