ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Myosin light chain kinase, smooth muscle

Intramolecular
Cysteine 435 and cysteine 487
Cysteine 435 and cysteine 498
Cysteine 487 and cysteine 498
Cysteine 1305 and cysteine 1307
A redox-regulated disulphide may form within Myosin light chain kinase, smooth muscle between cysteines 435 and 487.

Details

Redox score ?
74
PDB code
6c6m
Structure name
igcam3 of human mlck1
Structure deposition date
2018-01-19
Thiol separation (Å)
4
Half-sphere exposure sum ?
77
Minimum pKa ?
8
% buried
70
Peptide accession
Q15746
Residue number A
435
Residue number B
487
Peptide name
Myosin light chain kinase, smooth muscle

Ligandability

Cysteine 435 of Myosin light chain kinase, smooth muscle

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 487 of Myosin light chain kinase, smooth muscle

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 Myosin light chain kinase, smooth muscle between cysteines 435 and 498.

Details

Redox score ?
63
PDB code
6c6m
Structure name
igcam3 of human mlck1
Structure deposition date
2018-01-19
Thiol separation (Å)
5
Half-sphere exposure sum ?
69
Minimum pKa ?
11
% buried
nan
Peptide accession
Q15746
Residue number A
435
Residue number B
498
Peptide name
Myosin light chain kinase, smooth muscle

Ligandability

Cysteine 435 of Myosin light chain kinase, smooth muscle

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 498 of Myosin light chain kinase, smooth muscle

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 Myosin light chain kinase, smooth muscle between cysteines 487 and 498. However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
57
PDB code
6c6m
Structure name
igcam3 of human mlck1
Structure deposition date
2018-01-19
Thiol separation (Å)
6
Half-sphere exposure sum ?
68
Minimum pKa ?
11
% buried
55
Peptide accession
Q15746
Residue number A
487
Residue number B
498
Peptide name
Myosin light chain kinase, smooth muscle

Ligandability

Cysteine 487 of Myosin light chain kinase, smooth muscle

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 498 of Myosin light chain kinase, smooth muscle

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 Myosin light chain kinase, smooth muscle between cysteines 1305 and 1307 (75 and 77 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
43
PDB code
2cqv
Structure name
solution structure of the eighth ig-like domain of human myosin light chain kinase
Structure deposition date
2005-05-20
Thiol separation (Å)
10
Half-sphere exposure sum ?
53
Minimum pKa ?
9
% buried
2
Peptide accession
Q15746
Residue number A
1305
Residue number B
1307
Peptide name
Myosin light chain kinase, smooth muscle

Ligandability

Cysteine 1305 of Myosin light chain kinase, smooth muscle

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 1307 of Myosin light chain kinase, smooth muscle

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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