Structure of PDB 6wk9 Chain B Binding Site BS02

Receptor Information
>6wk9 Chain B (length=104) Species: 1321778 (Clostridiales bacterium oral taxon 876 str. F0540) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAWLILIIAGIFEVVWAIALKYSNGFTRLIPSMITLIGMLISFYLLSQAT
KTLPIGTAYAIWTGIGALGAVICGIIFFKEPLTALRIVFMILLLTGIIGL
KATS
Ligand information
Ligand IDU4G
InChIInChI=1S/C9H21N3/c1-2-3-4-5-6-7-8-12-9(10)11/h2-8H2,1H3,(H4,10,11,12)
InChIKeyXPYXSZDENRDLKD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[H]/N=C(\N)/NCCCCCCCC
ACDLabs 12.01C(C)CCCCCCNC(\N)=N
CACTVS 3.385CCCCCCCCNC(N)=N
OpenEye OEToolkits 2.0.7CCCCCCCCNC(=N)N
FormulaC9 H21 N3
NameN-octylguanidine
ChEMBLCHEMBL440685
DrugBank
ZINCZINC000001652272
PDB chain6wk9 Chain B Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6wk9 The structural basis of promiscuity in small multidrug resistance transporters.
Resolution2.32 Å
Binding residue
(original residue number in PDB)		E13 M39 F43 W62
Binding residue
(residue number reindexed from 1)		E13 M39 F43 W62
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0022857 transmembrane transporter activity
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6wk9, PDBe:6wk9, PDBj:6wk9
PDBsum6wk9
PubMed33247110
UniProtU2EQ00

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