Structure of PDB 1o4n Chain A Binding Site BS01

Receptor Information

>1o4n 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

InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)

MUBZPKHOEPUJKR-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	OC(=O)C(O)=O
ACDLabs 10.04	O=C(O)C(=O)O
OpenEye OEToolkits 1.5.0	C(=O)(C(=O)O)O

Formula

C2 H2 O4

Name

OXALIC ACID

ZINC000006021239

PDB chain

1o4n Chain A Residue 109 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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PDB	1o4n 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	1.6 Å
Binding residue (original residue number in PDB)	R14 R34 S36 E37 T38 C44
Binding residue (residue number reindexed from 1)	R14 R34 S36 E37 T38 C44
Annotation score	1
Binding affinity	MOAD: ic50>40mM PDBbind-CN: -logKd/Ki=1.40,IC50>40mM

Enzymatic activity

Enzyme Commision number

2.7.10.2: non-specific protein-tyrosine kinase.

External links

PDB	RCSB:1o4n, PDBe:1o4n, PDBj:1o4n
PDBsum	1o4n
PubMed	14613321
UniProt	P12931\|SRC_HUMAN Proto-oncogene tyrosine-protein kinase Src (Gene Name=SRC)

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