Structure of PDB 1o4o Chain A Binding Site BS02
Receptor Information
>1o4o Chain A (length=106) Species:
9606
(Homo sapiens) [
Search protein sequence
] [
Download receptor structure
] [
Download structure with residue number starting from 1
] [
View receptor structure
]
SIQAEEWYFGKITRRESERLLLNAENPRGTFLVRESETTKGAYCLSVSDF
DNAKGLNVKHYKIRKLDSGGFYITSRTQFNSLQQLVAYYSKHADGLCHRL
TTVCPT
Ligand information
Ligand ID
HPS
InChI
InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
InChIKey
CMPQUABWPXYYSH-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
O=P(Oc1ccccc1)(O)O
OpenEye OEToolkits 1.5.0
c1ccc(cc1)OP(=O)(O)O
CACTVS 3.341
O[P](O)(=O)Oc1ccccc1
Formula
C6 H7 O4 P
Name
PHENYL DIHYDROGEN PHOSPHATE;
PHENYLPHOSPHATE
ChEMBL
CHEMBL26128
DrugBank
DB03298
ZINC
ZINC000001529512
PDB chain
1o4o Chain A Residue 400 [
Download ligand structure
] [
Download structure with residue number starting from 1
] [
View ligand structure
]
Receptor-Ligand Complex Structure
Global view
Local view
Structure summary
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
[
Spin on
] [
Spin off
] [
Reset
]
[
High quality
] [
Low quality
]
[
White background
] [
Black background
]
PDB
1o4o
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.
Resolution
1.7 Å
Binding residue
(original residue number in PDB)
R14 R34 S36 E37 H60 K62
Binding residue
(residue number reindexed from 1)
R14 R34 S36 E37 H60 K62
Annotation score
1
Binding affinity
MOAD
: ic50=3.5mM
PDBbind-CN
: -logKd/Ki=2.46,IC50=3.5mM
BindingDB: IC50=5000000nM
Enzymatic activity
Enzyme Commision number
2.7.10.2
: non-specific protein-tyrosine kinase.
External links
PDB
RCSB:1o4o
,
PDBe:1o4o
,
PDBj:1o4o
PDBsum
1o4o
PubMed
14613321
UniProt
P12931
|SRC_HUMAN Proto-oncogene tyrosine-protein kinase Src (Gene Name=SRC)
[
Back to BioLiP
]