Structure of PDB 5nur Chain C Binding Site BS01

Receptor Information
>5nur Chain C (length=340) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEIYNKDGNKVDLYGKAVGLHYFSKGNGENSYGGNGDMTYARLGFKGETQ
INSDLTGYGQWEYNFQGNNSEGADAQTGNKTRLAFAGLKYADVGSFDYGR
NYGVVYDALGYTDMLPEFGGDTAYSDDFFVGRVGGVATYRNSNFFGLVDG
LNFAVQYLGKNERDTARRSNGDGVGGSISYEYEGFGIVGAYGAADRTNLQ
EAQPLGNGKKAEQWATGLKYDANNIYLAANYGETRNATPITNKFTNTSGF
ANKTQDVLLVAQYQFDFGLRPSIAYTKSKAKDVEGIGDVDLVNYFEVGAT
YYFNKNMSTYVDYIINQIDSDNKLGVGSDDTVAVGIVYQF
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5nur Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5nur Structural basis for maintenance of bacterial outer membrane lipid asymmetry.
Resolution3.29 Å
Binding residue
(original residue number in PDB)		N207 N236 N252
Binding residue
(residue number reindexed from 1)		N207 N236 N252
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001530 lipopolysaccharide binding
GO:0005216 monoatomic ion channel activity
GO:0005515 protein binding
GO:0008289 lipid binding
GO:0015288 porin activity
GO:0042802 identical protein binding
GO:0042912 colicin transmembrane transporter activity
GO:0097718 disordered domain specific binding
Biological Process
GO:0006811 monoatomic ion transport
GO:0015031 protein transport
GO:0034220 monoatomic ion transmembrane transport
GO:0043213 bacteriocin transport
GO:0070207 protein homotrimerization
Cellular Component
GO:0009279 cell outer membrane
GO:0016020 membrane
GO:0034702 monoatomic ion channel complex
GO:0046930 pore complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5nur, PDBe:5nur, PDBj:5nur
PDBsum5nur
PubMed29038444
UniProtP02931|OMPF_ECOLI Outer membrane porin F (Gene Name=ompF)

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