Structure of PDB 4eyq Chain A Binding Site BS01

Receptor Information
>4eyq Chain A (length=361) Species: 316058 (Rhodopseudomonas palustris HaA2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAETNEITVGITVTTTGPAAALGIPERNALEFVAKEIGGHPIKMIVLDDG
GDPTAATTNARRFVTESKADVIMGSSVTPPTVAVSNVANEAQVPHIALAP
LPVTPERAKWSVVMPQPIPIMGKVLYEHMKKNNIKTVGYIGYSDSYGDLW
FNDLKKQGEAMGLKIVAEERFARPDTSVAGQVLKLVAANPDAILVGASGT
AAALPQTALRERGYNGLIYQTHGAASMDFIRIAGKSAEGVLMASGPVMDP
EGQNDSALTKKPGLELNTAYETKYGPNSRSQFAGHSFDAFKVLERVIPVA
LKTAKPGTQEFREAIRKALLTEKDIAASQGVYSFTETDRYGLDDRSRILL
TVKNGKYVIVK
Ligand information
Ligand IDENO
InChIInChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)
InChIKeyKKADPXVIOXHVKN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)C(=O)Cc1ccc(O)cc1
ACDLabs 10.04O=C(O)C(=O)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(=O)C(=O)O)O
FormulaC9 H8 O4
Name3-(4-HYDROXY-PHENYL)PYRUVIC ACID;
HPP
ChEMBLCHEMBL607712
DrugBankDB07718
ZINCZINC000000895711
PDB chain4eyq Chain A Residue 401 [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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PDB4eyq Structural and functional characterization of solute binding proteins for aromatic compounds derived from lignin: p-Coumaric acid and related aromatic acids.
Resolution1.96 Å
Binding residue
(original residue number in PDB)		L46 V101 T102 P124 P139 Y170 R197 S222 G247 Q305 H309
Binding residue
(residue number reindexed from 1)		L22 V77 T78 P100 P115 Y146 R173 S198 G223 Q281 H285
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links