Structure of PDB 4v3g Chain A Binding Site BS01

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 1325 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4v3g Outer-membrane translocation of bulky small molecules by passive diffusion.
Resolution2.513 Å
Binding residue
(original residue number in PDB)		H314 F316
Binding residue
(residue number reindexed from 1)		H320 F322
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

[Back to BioLiP]