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 T85943 Target Info
Target Name Proto-oncogene c-Src (SRC)
Synonyms pp60c-src; Tyrosine kinase (pp60(src)); Src tyrosine kinase; SRC1; Proto-oncogene tyrosine-protein kinase Src; Pp60(src); P60-Src; C-src TK; C-Src
Target Type Successful Target
Gene Name SRC
Biochemical Class Kinase
UniProt ID
SRC_HUMAN
Ligand General Information  Top
Ligand Name Cysteine Sulfenic Acid Ligand Info
Canonical SMILES C(C(C(=O)O)N)SO
InChI 1S/C3H7NO3S/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKey FXIRVRPOOYSARH-REOHCLBHSA-N
PubChem Compound ID 165339
Drug Binding Sites of Target  Top
PDB ID: 1O4G      CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH DPI59.
Method X-ray diffraction Resolution 1.55 Å Mutation Yes [1]
PDB Sequence
SIQAEEWYFG
10
KITRRESERL
20
LLNAENPRGT
30
FLVRESETTK
40
GAYLSVSDFD
51

NAKGLNVKHY
61
KIRKLDSGGF
71
YITSRTQFNS
81
LQQLVAYYSK
91
HADGLCHRLT
101

TVCPT
Residue
Distance (Å)
ARG14
4.928
LEU32
3.875
VAL33
3.300
ARG34
2.800
GLU35
4.346
SER36
3.520
GLU37
4.936
ALA42
4.433
Residue
Distance (Å)
TYR43
1.331
LEU45
1.330
SER46
3.854
HIS60
4.480
TYR61
3.151
LYS62
3.613
ILE63
4.694
PDB ID: 1O4F      CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU79073.
Method X-ray diffraction Resolution 2.00 Å Mutation Yes [1]
PDB Sequence
SIQAEEWYFG
10
KITRRESERL
20
LLNAENPRGT
30
FLVRESETTK
40
GAYLSVSDFD
51

NAKGLNVKHY
61
KIRKLDSGGF
71
YITSRTQFNS
81
LQQLVAYYSK
91
HADGLCHRLT
101

TVCP
Residue
Distance (Å)
LEU32
3.916
VAL33
3.348
ARG34
2.847
GLU35
4.547
SER36
3.748
ALA42
4.521
TYR43
1.330
Residue
Distance (Å)
LEU45
1.318
SER46
3.842
HIS60
4.980
TYR61
3.288
LYS62
3.887
ILE63
4.737
References  Top
REF 1 Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J Med Chem. 2003 Nov 20;46(24):5184-95.

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