ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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Tyrosine-protein kinase receptor

Intramolecular
Cysteine 366 and cysteine 398
Cysteine 249 and cysteine 267
Cysteine 247 and cysteine 249
Cysteine 249 and cysteine 377
A redox-regulated disulphide may form within Tyrosine-protein kinase receptor between cysteines 366 and 398 (1354 and 1386 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
41
PDB code
2xp2
Structure name
structure of the human anaplastic lymphoma kinase in complex with crizotinib (pf-02341066)
Structure deposition date
2010-08-24
Thiol separation (Å)
9
Half-sphere exposure sum ?
65
Minimum pKa ?
11
% buried
67
Peptide accession
B6EXY4
Residue number A
366
Residue number B
398
Peptide name
Tyrosine-protein kinase receptor

Ligandability

Cysteine 366 of Tyrosine-protein kinase receptor

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 398 of Tyrosine-protein kinase receptor

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 Tyrosine-protein kinase receptor between cysteines 249 and 267 (1237 and 1255 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
38
PDB code
2xp2
Structure name
structure of the human anaplastic lymphoma kinase in complex with crizotinib (pf-02341066)
Structure deposition date
2010-08-24
Thiol separation (Å)
7
Half-sphere exposure sum ?
87
Minimum pKa ?
13
% buried
100
Peptide accession
B6EXY4
Residue number A
249
Residue number B
267
Peptide name
Tyrosine-protein kinase receptor

Ligandability

Cysteine 249 of Tyrosine-protein kinase receptor

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 267 of Tyrosine-protein kinase receptor

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 Tyrosine-protein kinase receptor between cysteines 247 and 249 (1235 and 1237 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
32
PDB code
2xp2
Structure name
structure of the human anaplastic lymphoma kinase in complex with crizotinib (pf-02341066)
Structure deposition date
2010-08-24
Thiol separation (Å)
9
Half-sphere exposure sum ?
79
Minimum pKa ?
10
% buried
70
Peptide accession
B6EXY4
Residue number A
247
Residue number B
249
Peptide name
Tyrosine-protein kinase receptor

Ligandability

Cysteine 247 of Tyrosine-protein kinase receptor

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 249 of Tyrosine-protein kinase receptor

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 Tyrosine-protein kinase receptor between cysteines 249 and 377 (1237 and 1365 respectively in this structure). However, the redox score of this cysteine pair is lower than any known redox-active intermolecular disulphide. ?

Details

Redox score ?
25
PDB code
2xp2
Structure name
structure of the human anaplastic lymphoma kinase in complex with crizotinib (pf-02341066)
Structure deposition date
2010-08-24
Thiol separation (Å)
10
Half-sphere exposure sum ?
86
Minimum pKa ?
12
% buried
100
Peptide accession
B6EXY4
Residue number A
249
Residue number B
377
Peptide name
Tyrosine-protein kinase receptor

Ligandability

Cysteine 249 of Tyrosine-protein kinase receptor

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 377 of Tyrosine-protein kinase receptor

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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