Structure of PDB 8dhy Chain A Binding Site BS01

Receptor Information
>8dhy Chain A (length=236) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MHNDKGEELFTGVVPILVELDGDVNGHKFSVRGEGEGDATNGKLTLKFIC
TTGKLPVPWPTLVTTLVQCFSRYPDHMKQHDFFKSAMPEGYVQERTISFK
DDGTYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHELEYNFNSHNVY
ITADKQKNGIKANFKIRHNVEDGSVQLADHYQQNTPIGDGPVLLPDNHYL
STQSVLSKDPNEKRDHMVLLEFVTAAGITHGMDELY
Ligand information
Ligand IDCU
InChIInChI=1S/Cu/q+2
InChIKeyJPVYNHNXODAKFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Cu+2]
CACTVS 3.341[Cu++]
FormulaCu
NameCOPPER (II) ION
ChEMBL
DrugBankDB14552
ZINC
PDB chain8dhy Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8dhy Structural basis for lipid and copper regulation of the ABC transporter MsbA.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		M1 H2
Binding residue
(residue number reindexed from 1)		M1 H2
Annotation score3
Enzymatic activity
Enzyme Commision number 7.5.2.6: ABC-type lipid A-core oligosaccharide transporter.
Gene Ontology
Biological Process
GO:0006091 generation of precursor metabolites and energy
GO:0008218 bioluminescence

View graph for
Biological Process
External links
PDB RCSB:8dhy, PDBe:8dhy, PDBj:8dhy
PDBsum8dhy
PubMed36435815
UniProtP60752|MSBA_ECOLI ATP-dependent lipid A-core flippase (Gene Name=msbA)

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