Structure of PDB 4v3g Chain A Binding Site BS02

Receptor Information
>4v3g Chain A (length=330) Species: 571 (Klebsiella oxytoca) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANVRLQHHHHHHHLEADVAFDESFFSFGGHVGTSVEYEDKVTRGFNNTDK
KEKTITNEVFNFFYNNPQWNFMGFYSFKIENREQKEPGYYENEDGIKQLF
SLNKGHDLGNGWATGLIYELEYTRSKVYSPDVSGLRKNLAEHSIRPYLTY
WNNDYNMGFYSNLEYLLSKEDRNAWGKRQEQGYSALFKPYKRFGNWEVGV
EFYYQIKTNDEKQPDGTINEKSDFNERYIEPIVQYSFDDAGTLYTRVRVG
KNETKNTDRSGGGNAGINYFKDIRKATVGYEQSIGESWVAKAEYEYANEV
EKKSRLSGWEARNKSELTQHTFYAQALYRF
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 chain4v3g Chain A 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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PDB4v3g Outer-membrane translocation of bulky small molecules by passive diffusion.
Resolution2.513 Å
Binding residue
(original residue number in PDB)		T108 P140 S155 L157 F181
Binding residue
(residue number reindexed from 1)		T114 P146 S161 L163 F187
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:4v3g, PDBe:4v3g, PDBj:4v3g
PDBsum4v3g
PubMed26015567
UniProtQ48391

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