Structure of PDB 6r81 Chain A Binding Site BS03

Receptor Information
>6r81 Chain A (length=572) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSKLKPFFALVRRTNPSYGKLAFALALSVVTTLVSLLIPLLTKQLVDGFS
MSNLSGTQIGLIALVFFVQAGLSAYATYALNYNGQKIISGLRELLWKKLI
KLPVSYFDTNASGETVSRVTNDTMVVKELITTHISGFITGIISVIGSLTI
LFIMNWKLTLLVLVVVPLAALILVPIGRKMFSISRETQDETARFTGLLNQ
ILPEIRLVKASNAEDVEYGRGKMGISSLFKLGVREAKVQSLVGPLISLVL
MAALVAVIGYGTAGALVAFILYLFQIIMPMGQITTFFTQLQKSIGATERM
IEILAEEEEDTVTGKQIENAHLPIQLDRVSFGYKPDQLILKEVSAVIEAG
KVTAIVGPSGGGKTTLFKLLERFYSPTAGTIRLGDEPVDTYSLESWREHI
GYVSQESPLMSGTIRENICYGLERDVTDAEIEKAAEMAYALNFIKELPNQ
FDTEVGERGIMLSGGQRQRIAIARALLRNPSILMLDAATSSLDSQSEKSV
QQALEVLMEGRTTIVIAHRLSTVVDADQLLFVEKGEITGRGTHHELMASH
GLYRDFAEQQLKMNADLENKAG
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 chain6r81 Chain A Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6r81 Substrate-bound and substrate-free outward-facing structures of a multidrug ABC exporter.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		T381 Q422 D503
Binding residue
(residue number reindexed from 1)		T364 Q405 D486
Annotation score1
Enzymatic activity
Enzyme Commision number 7.6.2.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0034040 ATPase-coupled lipid transmembrane transporter activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0006869 lipid transport
GO:0046677 response to antibiotic
GO:0055085 transmembrane transport
Cellular Component
GO:0005886 plasma membrane
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:6r81, PDBe:6r81, PDBj:6r81
PDBsum6r81
PubMed35080979
UniProtO06967|BMRA_BACSU Multidrug resistance ABC transporter ATP-binding/permease protein BmrA (Gene Name=bmrA)

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