Structure of PDB 2pcl Chain A Binding Site BS01

Receptor Information
>2pcl Chain A (length=223) Species: 224324 (Aquifex aeolicus VF5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEILRAENIKKVIRGYEILKGISLSVKKGEFVSIIGASGSGKSTLLYILG
LLDAPTEGKVFLEGKEVDYTNEKELSLLRNRKLGFVFQFHYLIPELTALE
NVIVPMLKMGKPKKEAKERGEYLLSELGLGDKLSRKPYELSGGEQQRVAI
ARALANEPILLFADEPTGNLDSANTKRVMDIFLKINEGGTSIVMVTHERE
LAELTHRTLEMKDGKVVGEITRV
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain2pcl Chain A Residue 225 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2pcl Crystal structure of ABC transporter with complex (aq_297) from aquifex aeolicus VF5
Resolution1.7 Å
Binding residue
(original residue number in PDB)		E166 P167 T168 T197
Binding residue
(residue number reindexed from 1)		E165 P166 T167 T196
Annotation score1
Enzymatic activity
Enzyme Commision number 7.6.2.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0022857 transmembrane transporter activity
Biological Process
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2pcl, PDBe:2pcl, PDBj:2pcl
PDBsum2pcl
PubMed
UniProtO66646|LOLD_AQUAE Lipoprotein-releasing system ATP-binding protein LolD (Gene Name=lolD)

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