Structure of PDB 5od9 Chain A Binding Site BS04

Receptor Information
>5od9 Chain A (length=95) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSPLAQQIKNTLTFIGQANAAGRMDEVRTLQENLHPLWHEYFQQTEGSGG
SPLAQQIEYGHVLIHQARAAGRMDEVRRLSENTLQLMKEYFQQSD
Ligand information
Ligand ID9RW
InChIInChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m0/s1
InChIKeyYPGCWEMNNLXISK-ZETCQYMHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(c1ccccc1)C(=O)O
OpenEye OEToolkits 2.0.6C[C@@H](c1ccccc1)C(=O)O
CACTVS 3.385C[CH](C(O)=O)c1ccccc1
CACTVS 3.385C[C@H](C(O)=O)c1ccccc1
FormulaC9 H10 O2
Name(2~{S})-2-phenylpropanoic acid
ChEMBL
DrugBank
ZINCZINC000000391877
PDB chain5od9 Chain A Residue 3010 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5od9 Evolution of a highly active and enantiospecific metalloenzyme from short peptides.
Resolution1.13 Å
Binding residue
(original residue number in PDB)		G1060 R1078 L1079 N1082
Binding residue
(residue number reindexed from 1)		G60 R78 L79 N82
Annotation score1
External links