Structure of PDB 4pet Chain A Binding Site BS01

Receptor Information
>4pet Chain A (length=329) Species: 167879 (Colwellia psychrerythraea 34H) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKKYRWKLAETWGPNFPIFGDATKNMAKMVKEMSNGRLTIRIDSSNKHKS
ALGIFDFVKSGQYQMGHSASYYWKGKNFNTMFFTTVPFGMIASEQHAWFY
YGGGMELMKKVYDQYGIMSFPGGNTGNQMGGWFKKEINSVEDLKGLKMRI
PGFAGEVLAKLGAKPTNIPSGELYTALERNTIDALEWVGPSLDLRMGFHK
IAPYYYTGWHEPGTELQFMVNQKAYNSLPKDLQKILTVAMKAAAYDMYSQ
SMHASGVNLASLKKDYPNVQMRSFPKPVMEAIVQANDELLEEFAAKDPMT
AEILKSLNDYKHQIRAWTNLSDRAYLDNF
Ligand information
Ligand IDPYR
InChIInChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKeyLCTONWCANYUPML-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(=O)C(=O)O
ACDLabs 12.01O=C(C(=O)O)C
FormulaC3 H4 O3
NamePYRUVIC ACID
ChEMBLCHEMBL1162144
DrugBankDB00119
ZINCZINC000001532517
PDB chain4pet Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4pet Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Y101 Y102 Q158 R179 W217
Binding residue
(residue number reindexed from 1)		Y71 Y72 Q128 R149 W187
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0031317 tripartite ATP-independent periplasmic transporter complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4pet, PDBe:4pet, PDBj:4pet
PDBsum4pet
PubMed25540822
UniProtQ48AL6

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