Structure of PDB 6zhv Chain A Binding Site BS01

Receptor Information
>6zhv Chain A (length=341) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAEIYNKDGNKVDLYGKAVGLHYFSKGNGENSYGGNGDMTYARLGFKGET
QINSDLTGYGQWEYNFQGNNSEGADAQTGNKTRLAFAGLKYADVGSFDYG
RNYGVVYDALGYTDMLPEFGGDTAYSDDFFVGRVGGVATYRNSNFFGLVD
GLNFAVQYLGKNERDTARRSNGDGVGGSISYEYEGFGIVGAYGAADRTNL
QEAQPLGNGKKAEQWATGLKYDANNIYLAANYGETRNATPITNKFTNTSG
FANKTQDVLLVAQYQFDFGLRPSIAYTKSKAKDVEGIGDVDLVNYFEVGA
TYYFNKNMSTYVDYIINQIDSDNKLGVGSDDTVAVGIVYQF
Ligand information
Ligand IDQLB
InChIInChI=1S/C14H30O4/c1-2-3-4-5-6-7-9-16-11-13-18-14-12-17-10-8-15/h15H,2-14H2,1H3
InChIKeyXIVLVYLYOMHUGB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CCCCCCCCOCCOCCOCCO
FormulaC14 H30 O4
Name2-[2-(2-octoxyethoxy)ethoxy]ethanol
ChEMBL
DrugBank
ZINCZINC000071788564
PDB chain6zhv Chain B Residue 407 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6zhv Crystal structure of OmpF porin soaked in ciprofloxacin metaloantibiotic
Resolution1.945 Å
Binding residue
(original residue number in PDB)		Y120 L180
Binding residue
(residue number reindexed from 1)		Y99 L159
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0034220 monoatomic ion transmembrane transport
Cellular Component
GO:0009279 cell outer membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6zhv, PDBe:6zhv, PDBj:6zhv
PDBsum6zhv
PubMed
UniProtP02931|OMPF_ECOLI Outer membrane porin F (Gene Name=ompF)

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