Structure of PDB 8tgy Chain E Binding Site BS01

Receptor Information
>8tgy Chain E (length=104) Species: 2044939 (Clostridia bacterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAWLILIIAGIFEVVWAIALKYSNGFTRLIPSMITLIGMLISFYLLSQAT
KTLPIGTAYAIWTGIGALGAVICGIIFFKEPLTALRIVFMILLLTGIIGL
KATS
Ligand information
Ligand ID9U1
InChIInChI=1S/C2H6N4O/c3-1(4)6-2(5)7/h(H6,3,4,5,6,7)
InChIKeySQSPRWMERUQXNE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(=NC(=O)N)(N)N
CACTVS 3.385NC(N)=NC(N)=O
ACDLabs 12.01N\C(N)=N/C(N)=O
FormulaC2 H6 N4 O
NameN-(diaminomethylidene)urea
ChEMBL
DrugBank
ZINCZINC000003875935
PDB chain8tgy Chain E Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8tgy Transport of metformin metabolites by guanidinium exporters of the Small Multidrug Resistance family.
Resolution2.18 Å
Binding residue
(original residue number in PDB)		E13 F43 W62
Binding residue
(residue number reindexed from 1)		E13 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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Biological Process
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Cellular Component
External links
PDB RCSB:8tgy, PDBe:8tgy, PDBj:8tgy
PDBsum8tgy
PubMed37645731
UniProtU2EQ00

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