Structure of PDB 6zgs Chain A Binding Site BS01

Receptor Information
>6zgs Chain A (length=404) Species: 335543 (Syntrophobacter fumaroxidans MPOB) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TMPRWVPLLLGLLGSTTCGMLLYAWSVFIKPLNAEFGWSRAEIAMAFAIC
CLIFGLMTFPAGRLSDKMGPRKVVMTGGVLLAIGFILSGFIQSKYQLYIT
YGVIAGFGGGMIYLPPIATAPKWWPDRRALATGFAVVGLGLGSFLMGPLA
TYIIEKPGMGWRYVFWYCGVAMGIMALIAGAFLEPPPAGWKPAGYTPKVT
RDWTYEEAKGDTKFWLLYLAYFCGSFAGLMVIGHLAGFGRDAGLTAMAAA
GAVSSLAFSNAATRILSGWFVDKIGIRVYFAALFALQTAAMIAIFQLGGS
VVGLSIVAIVIGWNYGAMFTLFPATCLQFYGPTAQGSNYGLLFTACGLAG
FAGPWVGGWLKDTTGTYYLPFLCAAALCALGTAIVFMTKPPEKKHALELE
VLFQ
Ligand information
Ligand IDHCI
InChIInChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKeyXMIIGOLPHOKFCH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)CCc1ccccc1
OpenEye OEToolkits 1.7.6c1ccc(cc1)CCC(=O)O
CACTVS 3.370OC(=O)CCc1ccccc1
FormulaC9 H10 O2
NameHYDROCINNAMIC ACID;
3PP;
3-PHENYLPROPIONIC ACID
ChEMBLCHEMBL851
DrugBankDB02024
ZINCZINC000000154564
PDB chain6zgs Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6zgs The making of a potent L-lactate transport inhibitor
Resolution2.151 Å
Binding residue
(original residue number in PDB)		F60 Y119 L145 R280 F335 C362
Binding residue
(residue number reindexed from 1)		F54 Y113 L139 R264 F319 C346
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015293 symporter activity
GO:0022857 transmembrane transporter activity
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6zgs, PDBe:6zgs, PDBj:6zgs
PDBsum6zgs
PubMed
UniProtA0LNN5|SFMCT_SYNFM L-lactate transporter (Gene Name=Sfum_3364)

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