Structure of PDB 4fuv Chain A Binding Site BS01

Receptor Information

>4fuv Chain A (length=213) Species: 980514 (Acinetobacter baumannii TCDC-AB0715) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KNQLIPVGARAEVGTTGYGGALLWQANPYVGLALGYNGGDISWSDDVKVN
GSTYDLDMDNNNVYLNAEIRPWGASTNRWAQGLYVAAGAAYLDNDYDLTR
NVDATRSFRVNNQDFIAGADGVKINGQMSYKNDIAPYLGFGFAPKINKNW
GVFGEVGAYYTGNPTVKLVSSGSAVTTGDQSLEEAVNAEARKIANDDKYK
WLPVGKVGVNFFW

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

4fuv Chain A Residue 303 [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	4fuv Outer membrane transport of amino acids and antibiotics by an 8-stranded b-barrel protein
Resolution	2.151 Å
Binding residue (original residue number in PDB)	T27 Y142 V168 P215 G217
Binding residue (residue number reindexed from 1)	T15 Y130 V156 P203 G205
Annotation score	1

External links

PDB	RCSB:4fuv, PDBe:4fuv, PDBj:4fuv
PDBsum	4fuv
PubMed

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