Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T23673 Target Info
Target Name Proto-oncogene c-RAF (c-RAF)
Synonyms cRaf; Raf-1; RAF proto-oncogene serine/threonine-protein kinase; RAF
Target Type Clinical trial Target
Gene Name RAF1
Biochemical Class Kinase
UniProt ID
RAF1_HUMAN
Ligand General Information  Top
Ligand Name L-serine-O-phosphate Ligand Info
Canonical SMILES C(C(C(=O)O)N)OP(=O)(O)O
InChI 1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
InChIKey BZQFBWGGLXLEPQ-REOHCLBHSA-N
PubChem Compound ID 68841
Drug Binding Sites of Target  Top
PDB ID: 4IHL      Human 14-3-3 isoform zeta in complex with a diphoyphorylated C-RAF peptide and Cotylenin A
Method X-ray diffraction Resolution 2.20 Å Mutation No [1]
PDB Sequence
HRYTPHAQRS
257
TTPNV
Residue
Distance (Å)
ARG231
2.602
TYR232
1.335
THR234
1.325
PRO235
3.317
Residue
Distance (Å)
SER257
3.894
THR258
1.331
THR260
1.337
PRO261
3.341
PDB ID: 3O8I      Structure of 14-3-3 isoform sigma in complex with a C-Raf1 peptide and a stabilizing small molecule fragment
Method X-ray diffraction Resolution 2.00 Å Mutation No [2]
PDB Sequence
RSTTPNV
Residue
Distance (Å)
SER257
4.214
THR258
1.362
Residue
Distance (Å)
THR260
1.326
PRO261
3.303
PDB ID: 3NKX      Impaired binding of 14-3-3 to Raf1 is linked to Noonan and LEOPARD syndrome
Method X-ray diffraction Resolution 2.40 Å Mutation No [2]
PDB Sequence
RSTTPNVH
Residue
Distance (Å)
ARG256
4.124
SER257
3.837
THR258
1.328
Residue
Distance (Å)
THR260
1.314
PRO261
3.190
PDB ID: 3CU8      Impaired binding of 14-3-3 to Raf1 is linked to Noonan and LEOPARD syndrome
Method X-ray diffraction Resolution 2.40 Å Mutation No [2]
PDB Sequence
RSTTPNVH
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .P:256 or .P:257 or .P:258 or .P:260 or .P:261; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ARG256
3.950
SER257
3.768
THR258
1.320
Residue
Distance (Å)
THR260
1.314
PRO261
3.156
PDB ID: 3IQV      Crystal Structure of human 14-3-3 sigma in Complex with Raf1 peptide (6mer) and stabilisator Fusicoccin
Method X-ray diffraction Resolution 1.20 Å Mutation No [2]
PDB Sequence
QRSTT
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .P:256 or .P:257 or .P:258 or .P:260; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
Residue
Distance (Å)
ARG256
4.334
SER257
4.007
Residue
Distance (Å)
THR258
1.343
THR260
1.316
References  Top
REF 1 Stabilization of physical RAF/14-3-3 interaction by cotylenin A as treatment strategy for RAS mutant cancers. ACS Chem Biol. 2013 Sep 20;8(9):1869-75.
REF 2 Impaired binding of 14-3-3 to C-RAF in Noonan syndrome suggests new approaches in diseases with increased Ras signaling. Mol Cell Biol. 2010 Oct;30(19):4698-711.

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