Structure of PDB 6wk8 Chain A Binding Site BS01

Receptor Information
>6wk8 Chain A (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 IDPL0
InChIInChI=1S/C7H9N3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10)
InChIKeyQRJZGVVKGFIGLI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=N)Nc1ccccc1
ACDLabs 10.04[N@H]=C(Nc1ccccc1)N
OpenEye OEToolkits 1.5.0[H]N=C(N)Nc1ccccc1
OpenEye OEToolkits 1.5.0[H]/N=C(/N)\Nc1ccccc1
FormulaC7 H9 N3
Name1-phenylguanidine
ChEMBLCHEMBL14047
DrugBank
ZINCZINC000004276940
PDB chain6wk8 Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6wk8 The structural basis of promiscuity in small multidrug resistance transporters.
Resolution2.53 Å
Binding residue
(original residue number in PDB)		E13 M39
Binding residue
(residue number reindexed from 1)		E13 M39
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:6wk8, PDBe:6wk8, PDBj:6wk8
PDBsum6wk8
PubMed33247110
UniProtU2EQ00

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