Structure of PDB 7bcw Chain B Binding Site BS05

Receptor Information
>7bcw Chain B (length=574) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLSTWQTFRRLWPTIAPFKAGLIVAGVALILNAASDTFMLSLLKPLLDDG
FGKTDRSVLVWMPLVVIGLMILRGITSYVSSYCISWVSGKVVMTMRRRLF
GHMMGMPVSFFDKQSTGTLLSRITYDSEQVASSSSGALITVVREGASIIG
LFIMMFYYSWQLSIILIVLAPIVSIAIRVVSKRFRNISKNMQNTMGQVTT
SAEQMLKGHKEVLIFGGQEVETKRFDKVSNRMRLQGMKMVSASSISDPII
QLIASLALAFVLYAASFPSVMDSLTAGTITVVFSSMIALMRPLKSLTNVN
AQFQRGMAACQTLFTILDSEQEKDEGKRVIERATGDVEFRNVTFTYPGRD
VPALRNINLKIPAGKTVALVGRSGSGKSTIASLITRFYDIDEGEILMDGH
DLREYTLASLRNQVALVSQNVHLFNDTVANNIAYARTEQYSREQIEEAAR
MAYAMDFINKMDNGLDTVIGENGVLLSGGQRQRIAIARALLRDSPILILD
EATSALDTESERAIQAALDELQKNRTSLVIAHRLSTIEKADEIVVVEDGV
IVERGTHNDLLEHRGVYAQLHKMQ
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 chain7bcw Chain B Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7bcw Cryo-EM structure of MsbA in saposin-lipid nanoparticles (Salipro) provides insights into nucleotide coordination.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		S383 Q424
Binding residue
(residue number reindexed from 1)		S378 Q419
Annotation score1
Enzymatic activity
Enzyme Commision number 7.5.2.6: ABC-type lipid A-core oligosaccharide transporter.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008289 lipid binding
GO:0008559 ABC-type xenobiotic transporter activity
GO:0015437 lipopolysaccharide floppase activity
GO:0016887 ATP hydrolysis activity
GO:0034040 ATPase-coupled lipid transmembrane transporter activity
GO:0042802 identical protein binding
GO:0140359 ABC-type transporter activity
Biological Process
GO:0006869 lipid transport
GO:0015920 lipopolysaccharide transport
GO:0034204 lipid translocation
GO:0042908 xenobiotic transport
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0043190 ATP-binding cassette (ABC) transporter complex
GO:1990199 MsbA transporter complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7bcw, PDBe:7bcw, PDBj:7bcw
PDBsum7bcw
PubMed34921499
UniProtP60752|MSBA_ECOLI ATP-dependent lipid A-core flippase (Gene Name=msbA)

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