Structure of PDB 4d5d Chain A Binding Site BS10

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 1334 [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)		I138 Y177
Binding residue
(residue number reindexed from 1)		I125 Y164
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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