Structure of PDB 6zhv Chain A Binding Site BS04
Receptor Information
>6zhv Chain A (length=341) Species:
83333
(Escherichia coli K-12) [
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AAEIYNKDGNKVDLYGKAVGLHYFSKGNGENSYGGNGDMTYARLGFKGET
QINSDLTGYGQWEYNFQGNNSEGADAQTGNKTRLAFAGLKYADVGSFDYG
RNYGVVYDALGYTDMLPEFGGDTAYSDDFFVGRVGGVATYRNSNFFGLVD
GLNFAVQYLGKNERDTARRSNGDGVGGSISYEYEGFGIVGAYGAADRTNL
QEAQPLGNGKKAEQWATGLKYDANNIYLAANYGETRNATPITNKFTNTSG
FANKTQDVLLVAQYQFDFGLRPSIAYTKSKAKDVEGIGDVDLVNYFEVGA
TYYFNKNMSTYVDYIINQIDSDNKLGVGSDDTVAVGIVYQF
Ligand information
Ligand ID
QLB
InChI
InChI=1S/C14H30O4/c1-2-3-4-5-6-7-9-16-11-13-18-14-12-17-10-8-15/h15H,2-14H2,1H3
InChIKey
XIVLVYLYOMHUGB-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7
CCCCCCCCOCCOCCOCCO
Formula
C14 H30 O4
Name
2-[2-(2-octoxyethoxy)ethoxy]ethanol
ChEMBL
DrugBank
ZINC
ZINC000071788564
PDB chain
6zhv Chain A Residue 407 [
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Receptor-Ligand Complex Structure
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PDB
6zhv
Crystal structure of OmpF porin soaked in ciprofloxacin metaloantibiotic
Resolution
1.945 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 score
1
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0015288
porin activity
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
PDBsum
6zhv
PubMed
UniProt
P02931
|OMPF_ECOLI Outer membrane porin F (Gene Name=ompF)
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