Structure of PDB 4rl8 Chain A Binding Site BS03

Receptor Information

>4rl8 Chain A (length=267) Species: 351746 (Pseudomonas putida F1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EVDPGDYEALPVGATIGVVYYQHSTTDSAYANGHKVSSDFKLTSNVGILR
LLHVYQLTDRLTLEPQFLLPFGRVSSSGDASALGDTSGVGDLTLTAPLKY
RLNEANDILGATVYLTAPTGNYNRDDALNLGENRWKVDLQAAYVKHLGEK
WAVDLVGDAIWYSDNDDFGSSSARREQDVSYGAQLMGRYIVDPGTSLAIG
LGHTWGGENQIDGTAQDDRAETTNFRVTANKFFTAKDQLQMQLGRDLAVE
NGPKENFRLNLRYVRVF

Ligand information

Ligand ID

C8E

InChI

InChI=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

InChIKey

FEOZZFHAVXYAMB-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O(CCCCCCCC)CCOCCOCCOCCO
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCCCCCCCOCCOCCOCCOCCO

Formula

C16 H34 O5

Name

(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE

PDB chain

4rl8 Chain A Residue 308 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4rl8 Crystal structure of a COG4313 outer membrane channel.
Resolution	2.3 Å
Binding residue (original residue number in PDB)	L156 G158 D159
Binding residue (residue number reindexed from 1)	L155 G157 D158
Annotation score	1

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:4rl8, PDBe:4rl8, PDBj:4rl8
PDBsum	4rl8
PubMed	26149193
UniProt	A5W3Z9

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