Structure of PDB 4dqd Chain A Binding Site BS01

Receptor Information
>4dqd 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]
AEIKIGITMSASGPGAALGQPQSKTVAALPKEIGGEKVTYFALDDESDPT
KAAQNARKLLSEEKVDVLIGSSLTPVSLPLIDIAAEAKTPLMTMAAAAIL
VAPMDERRKWVYKVVPNDDIMAEAIGKYIAKTGAKKVGYIGFSDAYGEGY
YKVLAAAAPKLGFELTTHEVYARSDASVTGQVLKIIATKPDAVFIASAGT
PAVLPQKALRERGFKGAIYQTHGVATEEFIKLGGKDVEGAIFAGEAFSGA
EDMPADSPFRKVKARFVDAYKAANGGAAPTIFGVHLWDSMTLVENAIPAA
LKAAKPGTPEFRAAIRDQIEKSKDLALNNGLSNMTPDNHNGYDERSAFLI
EIRDGAFRLKQ
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 chain4dqd 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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PDB4dqd Structural and functional characterization of solute binding proteins for aromatic compounds derived from lignin: p-Coumaric acid and related aromatic acids.
Resolution1.601 Å
Binding residue
(original residue number in PDB)		L40 L95 T96 A117 A118 V137 Y168 R195 A220 H244
Binding residue
(residue number reindexed from 1)		L18 L73 T74 A95 A96 V115 Y146 R173 A198 H222
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links