Structure of PDB 6zgs Chain B Binding Site BS01
Receptor Information
>6zgs Chain B (length=364) Species:
335543
(Syntrophobacter fumaroxidans MPOB) [
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PLLLGLLGSTTCGMLLYAWSVFIKPLNAEFGWSRAEIAMAFAICCLIFGL
MTFPAGRLSDKMGPRKVVMTGGVLLAIGFILSGFIQSKYQLYITYGVIAG
FGGGMIYLPPIATAPKWWPDRRALATGFAVVGLGLGSFLMGPLATYIIGW
RYVFWYCGVAMGIMALIAGAFLEPRDWTYEEAKGDTKFWLLYLAYFCGSF
AGLMVIGHLAGFGRDAGLTAMAAAGAVSSLAFSNAATRILSGWFVDKIGI
RVYFAALFALQTAAMIAIFQLGGSVVGLSIVAIVIGWNYGAMFTLFPATC
LQFYGPTAQGSNYGLLFTACGLAGFAGPWVGGWLKDTTGTYYLPFLCAAA
LCALGTAIVFMTKP
Ligand information
Ligand ID
HCI
InChI
InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKey
XMIIGOLPHOKFCH-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 12.01
O=C(O)CCc1ccccc1
OpenEye OEToolkits 1.7.6
c1ccc(cc1)CCC(=O)O
CACTVS 3.370
OC(=O)CCc1ccccc1
Formula
C9 H10 O2
Name
HYDROCINNAMIC ACID;
3PP;
3-PHENYLPROPIONIC ACID
ChEMBL
CHEMBL851
DrugBank
DB02024
ZINC
ZINC000000154564
PDB chain
6zgs Chain B Residue 501 [
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Receptor-Ligand Complex Structure
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PDB
6zgs
The making of a potent L-lactate transport inhibitor
Resolution
2.151 Å
Binding residue
(original residue number in PDB)
F60 Y119 L145 R280 F335 F359 C362
Binding residue
(residue number reindexed from 1)
F48 Y107 L133 R238 F293 F317 C320
Annotation score
1
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
PDBsum
6zgs
PubMed
UniProt
A0LNN5
|SFMCT_SYNFM L-lactate transporter (Gene Name=Sfum_3364)
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