Structure of PDB 5dl8 Chain B Binding Site BS02

Receptor Information
>5dl8 Chain B (length=391) Species: 557600 (Acinetobacter baumannii AB307-0294) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPNQQTEDEWKFTLKNAYINRDFDNDALKDTGSWSQAASLFYKSKMHDTP
LVIADKPITIGADASVQYAVRLSSDKHVADTVLPFNKETQSQASDYLKYG
ATLKLGYDKTLLSVGELWLDLPVTAVDASRQLLTSYWGTNLKSQLSDQLY
AEIGRVEKVSPRNEEDFKKFSFTANGITKESDGLNYIDLRYQFTPSLKGE
YYFGNLEDLYNKHYVGLEHTWKQPTFALTSKFKYFNAKDDGNTFDIDAEN
IGLLETVKVKNHTFGLGYQQIIGESAYPLPDGFLPETYFINWNATGFFKE
DEKSYHVMYGYDFKDYIPGLNAMVKYVYGHDFKAANGEKNHETESNVILN
YAFQQPLLKGFALQYIRIDYNVKHGNDFGEDRLFVNYTKKF
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 chain5dl8 Chain B Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5dl8 Structural Insights into Outer Membrane Permeability of Acinetobacter baumannii.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D23 F24 D31
Binding residue
(residue number reindexed from 1)		D22 F23 D30
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015288 porin activity
GO:0046872 metal ion binding
Biological Process
GO:0055085 transmembrane transport
Cellular Component
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:5dl8, PDBe:5dl8, PDBj:5dl8
PDBsum5dl8
PubMed26805524
UniProtA0A0D5YI36

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