ReDisulphID

a tool for identifying drug-targetable redox-active disulphides

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RAF proto-oncogene serine/threonine-protein kinase

Intramolecular
Cysteine 152 and cysteine 155
Cysteine 165 and cysteine 168
Cysteine 165 and cysteine 184
Cysteine 152 and cysteine 176
Cysteine 168 and cysteine 184
Cysteine 155 and cysteine 176
Cysteine 95 and cysteine 96
A redox-regulated disulphide may form within RAF proto-oncogene serine/threonine-protein kinase between cysteines 152 and 155.

Details

Redox score ?
84
PDB code
6xgu
Structure name
crystal structure of kras-q61r (gmppnp-bound) in complex with ras- binding domain (rbd) and cysteine-rich domain (crd) of raf1/craf
Structure deposition date
2020-06-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
46
Minimum pKa ?
7
% buried
14
Peptide accession
P04049
Residue number A
152
Residue number B
155
Peptide name
RAF proto-oncogene serine/threonine-protein kinase

Ligandability

Cysteine 152 of RAF proto-oncogene serine/threonine-protein 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 155 of RAF proto-oncogene serine/threonine-protein 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 RAF proto-oncogene serine/threonine-protein kinase between cysteines 165 and 168.

Details

Redox score ?
83
PDB code
6xhb
Structure name
crystal structure of wild-type kras (gmppnp-bound) in complex with ras-binding domain (rbd) and cysteine-rich domain (crd) of raf1/craf (crystal form ii)
Structure deposition date
2020-06-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
55
Minimum pKa ?
7
% buried
31
Peptide accession
P04049
Residue number A
165
Residue number B
168
Peptide name
RAF proto-oncogene serine/threonine-protein kinase

Ligandability

Cysteine 165 of RAF proto-oncogene serine/threonine-protein 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 RAF proto-oncogene serine/threonine-protein 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 RAF proto-oncogene serine/threonine-protein kinase between cysteines 165 and 184.

Details

Redox score ?
82
PDB code
7jhp
Structure name
crystal structure of hras in complex with the ras-binding and cysteine-rich domains of craf-kinase
Structure deposition date
2020-07-21
Thiol separation (Å)
4
Half-sphere exposure sum ?
59
Minimum pKa ?
7
% buried
16
Peptide accession
P04049
Residue number A
165
Residue number B
184
Peptide name
RAF proto-oncogene serine/threonine-protein kinase

Ligandability

Cysteine 165 of RAF proto-oncogene serine/threonine-protein 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 184 of RAF proto-oncogene serine/threonine-protein 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 RAF proto-oncogene serine/threonine-protein kinase between cysteines 152 and 176.

Details

Redox score ?
82
PDB code
7jhp
Structure name
crystal structure of hras in complex with the ras-binding and cysteine-rich domains of craf-kinase
Structure deposition date
2020-07-21
Thiol separation (Å)
4
Half-sphere exposure sum ?
59
Minimum pKa ?
6
% buried
22
Peptide accession
P04049
Residue number A
152
Residue number B
176
Peptide name
RAF proto-oncogene serine/threonine-protein kinase

Ligandability

Cysteine 152 of RAF proto-oncogene serine/threonine-protein 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 176 of RAF proto-oncogene serine/threonine-protein 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 RAF proto-oncogene serine/threonine-protein kinase between cysteines 168 and 184.

Details

Redox score ?
80
PDB code
7jhp
Structure name
crystal structure of hras in complex with the ras-binding and cysteine-rich domains of craf-kinase
Structure deposition date
2020-07-21
Thiol separation (Å)
4
Half-sphere exposure sum ?
51
Minimum pKa ?
8
% buried
9
Peptide accession
P04049
Residue number A
168
Residue number B
184
Peptide name
RAF proto-oncogene serine/threonine-protein kinase

Ligandability

Cysteine 168 of RAF proto-oncogene serine/threonine-protein 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 184 of RAF proto-oncogene serine/threonine-protein 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 RAF proto-oncogene serine/threonine-protein kinase between cysteines 155 and 176.

Details

Redox score ?
76
PDB code
6xhb
Structure name
crystal structure of wild-type kras (gmppnp-bound) in complex with ras-binding domain (rbd) and cysteine-rich domain (crd) of raf1/craf (crystal form ii)
Structure deposition date
2020-06-18
Thiol separation (Å)
4
Half-sphere exposure sum ?
49
Minimum pKa ?
8
% buried
19
Peptide accession
P04049
Residue number A
155
Residue number B
176
Peptide name
RAF proto-oncogene serine/threonine-protein kinase

Ligandability

Cysteine 155 of RAF proto-oncogene serine/threonine-protein 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 176 of RAF proto-oncogene serine/threonine-protein 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 RAF proto-oncogene serine/threonine-protein kinase between cysteines 95 and 96.

Details

Redox score ?
70
PDB code
1rrb
Structure name
the ras-binding domain of raf-1 from rat, nmr, 1 structure
Structure deposition date
1998-03-26
Thiol separation (Å)
6
Half-sphere exposure sum ?
39
Minimum pKa ?
9
% buried
6
Peptide accession
P11345
Residue number A
95
Residue number B
96
Peptide name
RAF proto-oncogene serine/threonine-protein kinase

Ligandability

Cysteine 95 of RAF proto-oncogene serine/threonine-protein 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 96 of RAF proto-oncogene serine/threonine-protein 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.

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