Structure of PDB 4v3h Chain B Binding Site BS02

Receptor Information
>4v3h Chain B (length=307) Species: 571 (Klebsiella oxytoca) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FFSFGGHVGTSVEYEDKVTRGFNNTDKKEKTITNEVFNFFYNNPQWNFMG
FYSFKIENREQKEPGYYENEDGIKQLFSLNKGHDLGNGWATGLIYELEYT
RSKVYSPDVSGLRKNLAEHSIRPYLTYWNNDYNMGFYSNLEYLLSKEDRN
AWGKRQEQGYSALFKPYKRFGNWEVGVEFYYQIKTNDEKQPDGTINEKSD
FNERYIEPIVQYSFDDAGTLYTRVRVGKNETKNTDRSGGGNAGINYFKDI
RKATVGYEQSIGESWVAKAEYEYANEVEKKSRLSGWEARNKSELTQHTFY
AQALYRF
Ligand information
Ligand IDC8E
InChIInChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3
InChIKeyFEOZZFHAVXYAMB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O(CCCCCCCC)CCOCCOCCOCCO
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCCCCOCCOCCOCCOCCO
FormulaC16 H34 O5
Name(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE
ChEMBL
DrugBankDB04233
ZINCZINC000014881140
PDB chain4v3h Chain B Residue 1326 [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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PDB4v3h Outer-membrane translocation of bulky small molecules by passive diffusion.
Resolution1.83 Å
Binding residue
(original residue number in PDB)		F94 S95 L96 Y112 E113 L114 Y116
Binding residue
(residue number reindexed from 1)		F77 S78 L79 Y95 E96 L97 Y99
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0098657 import into cell

View graph for
Biological Process
External links
PDB RCSB:4v3h, PDBe:4v3h, PDBj:4v3h
PDBsum4v3h
PubMed26015567
UniProtQ48391

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