Structure of PDB 6zhv Chain A Binding Site BS04

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 A 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)
L249 A250 V282 A296 F317
Binding residue
(residue number reindexed from 1)
L228 A229 V261 A275 F296
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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