Structure of PDB 7szt Chain F Binding Site BS01

Receptor Information
>7szt Chain F (length=89) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVPTKLEVVAATPTSLLISWDAGHWWEWVTYYRITYGETGGNSPVQEFTV
PGYSSTATISGLKPGVDYTITVYAPTSDYGSPISINYRT
Ligand information
Ligand ID9PD
InChIInChI=1S/C14H31OP/c1-4-5-6-7-8-9-10-11-12-13-14-16(2,3)15/h4-14H2,1-3H3
InChIKeySIDULKZCBGMXJL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCC[P](C)(C)=O
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		CCCCCCCCCCCCP(=O)(C)C
FormulaC14 H31 O P
NameDodecyldimethylphosphine oxide;
APO-12
ChEMBL
DrugBank
ZINC
PDB chain7szt Chain F Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7szt Crystal structures of bacterial small multidrug resistance transporter EmrE in complex with structurally diverse substrates.
Resolution2.32 Å
Binding residue
(original residue number in PDB)		P54 Y56
Binding residue
(residue number reindexed from 1)		P51 Y53
Annotation score1
External links