Structure of PDB 4d5d Chain A Binding Site BS09

Receptor Information
>4d5d Chain A (length=311) Species: 571 (Klebsiella oxytoca) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FDESFFSFGGHVGTSVEYEDKVTRGFNNTDKKEKTITNEVFNFFYNNPQW
NFMGFYSFKIENREQKEPGYYENEDGIKQLFSLNKGHDLGNGWATGLIYE
LEYTRSKVYSPDVSGLRKNLAEHSIRPYLTYWNNDYNMGFYSNLEYLLSK
EDRNAWGKRQEQGYSALFKPYKRFGNWEVGVEFYYQIKTNDEKQPDGTIN
EKSDFNERYIEPIVQYSFDDAGTLYTRVRVGKNETKNTDRSGGGNAGINY
FKDIRKATVGYEQSIGESWVAKAEYEYANEVEKKSRLSGWEARNKSELTQ
HTFYAQALYRF
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 chain4d5d Chain A Residue 1333 [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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PDB4d5d Outer-membrane translocation of bulky small molecules by passive diffusion.
Resolution1.902 Å
Binding residue
(original residue number in PDB)		F231 L237 Y274 A286 E287
Binding residue
(residue number reindexed from 1)		F218 L224 Y261 A273 E274
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:4d5d, PDBe:4d5d, PDBj:4d5d
PDBsum4d5d
PubMed26015567
UniProtQ48391

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