Structure of PDB 7ph3 Chain A Binding Site BS02

Receptor Information
>7ph3 Chain A (length=577) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDKDLSTWQTFRRLWPTIAPFKAGLIVAGVALILNAASDTFMLSLLKPLL
DDGFGKTDRSVLVWMPLVVIGLMILRGITSYVSSYCISWVSGKVVMTMRR
RLFGHMMGMPVSFFDKQSTGTLLSRITYDSEQVASSSSGALITVVREGAS
IIGLFIMMFYYSWQLSIILIVLAPIVSIAIRVVSKRFRNISKNMQNTMGQ
VTTSAEQMLKGHKEVLIFGGQEVETKRFDKVSNRMRLQGMKMVSASSISD
PIIQLIASLALAFVLYAASFPSVMDSLTAGTITVVFSSMIALMRPLKSLT
NVNAQFQRGMAACQTLFTILDSEQEKDEGKRVIERATGDVEFRNVTFTYP
GRDVPALRNINLKIPAGKTVALVGRSGSGKSTIASLITRFYDIDEGEILM
DGHDLREYTLASLRNQVALVSQNVHLFNDTVANNIAYARTEQYSREQIEE
AARMAYAMDFINKMDNGLDTVIGENGVLLSGGQRQRIAIARALLRDSPIL
ILDEATSALDTESERAIQAALDELQKNRTSLVIAHRLSTIEKADEIVVVE
DGVIVERGTHNDLLEHRGVYAQLHKMQ
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 chain7ph3 Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ph3 The ABC transporter MsbA adopts the wide inward-open conformation in E. coli cells.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		S383 Q424
Binding residue
(residue number reindexed from 1)		S381 Q422
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:7ph3, PDBe:7ph3, PDBj:7ph3
PDBsum7ph3
PubMed36223470
UniProtP60752|MSBA_ECOLI ATP-dependent lipid A-core flippase (Gene Name=msbA)

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