Structure of PDB 8pnh Chain A Binding Site BS02

Receptor Information
>8pnh Chain A (length=386) Species: 1198452 (Janthinobacterium sp. HH01) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HRLDDITARGVLRVGTTGDYKPFSSRAGNDFVGLDIELAADLARTLGVPV
QIVPTSWPTLMKDFGDGKFDIALGGVSITPERQKQGLFSVSYLRDGKTPI
TRCENSARFQTLAQIDQPGVRLVVNPGGTNERFARSQAPNAQLTVYPDNV
TIFDQIVTGAADLMITDAIETRLQQRLRPQLCAVHPDTPFDFAEKAILLP
RDVAFKAVVDKWLQQRIASGAVQRSVDRWLDFPWGLEPLRLAIDQRLLLA
QAVARAKWNVQAPIEDLGREAQVIQAAVKEGAALGLPKVWIETVFRAQIE
ASKTVQRELFAQWSAQQAGKFDDAPDLAKTIRPELDRLTTQLLRSMASNQ
TVLNDEARKADVARAMRALEARALSPQAATQALAPF
Ligand information
Ligand IDPPY
InChIInChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
InChIKeyBTNMPGBKDVTSJY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(=O)C(=O)O
CACTVS 3.341OC(=O)C(=O)Cc1ccccc1
ACDLabs 10.04O=C(C(=O)O)Cc1ccccc1
FormulaC9 H8 O3
Name3-PHENYLPYRUVIC ACID
ChEMBLCHEMBL1162488
DrugBankDB03884
ZINCZINC000000901485
PDB chain8pnh Chain A Residue 502 [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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PDB8pnh Chorismate mutase
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y50 S107 N155 G158 T159 N160 E200
Binding residue
(residue number reindexed from 1)		Y20 S77 N125 G128 T129 N130 E170
Annotation score1
External links