Structure of PDB 1o41 Chain A Binding Site BS01

Receptor Information
>1o41 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 ID300
InChIInChI=1S/C8H9O6P/c1-13-7-4-2-3-6(5-9)8(7)14-15(10,11)12/h2-5H,1H3,(H2,10,11,12)
InChIKeyCGEZBCISRKFHLZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0COc1cccc(c1OP(=O)(O)O)C=O
ACDLabs 10.04O=Cc1cccc(OC)c1OP(=O)(O)O
CACTVS 3.341COc1cccc(C=O)c1O[P](O)(O)=O
FormulaC8 H9 O6 P
Name2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE;
RU78300
ChEMBLCHEMBL25186
DrugBankDB03306
ZINCZINC000012503432
PDB chain1o41 Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1o41 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.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		R14 R34 E37 C44 H60 K62
Binding residue
(residue number reindexed from 1)		R14 R34 E37 C44 H60 K62
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=3.05,IC50=0.9mM
BindingDB: IC50=900000nM
Enzymatic activity
Enzyme Commision number 2.7.10.2: non-specific protein-tyrosine kinase.
External links
PDB RCSB:1o41, PDBe:1o41, PDBj:1o41
PDBsum1o41
PubMed14613321
UniProtP12931|SRC_HUMAN Proto-oncogene tyrosine-protein kinase Src (Gene Name=SRC)

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