Structure of PDB 8buu Chain 9 Binding Site BS07

Receptor Information
>8buu Chain 9 (length=573) Species: 220686 (Neobacillus vireti) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KNQRTIVKVSGLEKSFHLRKVLQNLHFEIKNGDRIGLVGYNGTGKTTLAN
IIFGKITPDNGLIEKSRDLRMGYLSQSIDYEVSHFQQSIAEVEEHELFQH
ASSLGLNKVFDWSEDRLTHLSGGEKLKLALSMVWATKPDFLILDQPTNHL
DFTGINWLVSELEKFHGPVLIISHDRHFLDKTVNRIFELEESRIQFFNGN
YSDYRIEKEQRIANQRHQYQVQQRQIEKIETQMVQLKSWSEKAHRDSTKQ
GSASERRQIGFKEYHRVKAKKLDNQVKSKMKRLQNELNKHKLEKPNEEAA
VRFQFDSHGKRGKRIIEAKKLTKMFDDRILFQDSPFYINHGDRIGLLGEN
GCGKTTLIKMILGDDLSFVGELWKSDSVKIAYLSQDVADLSADKTAIEAL
GFTDRESILKARTLLANLGLKEQLITKPIGTLSLGERTRVKLVDMLMKEY
DVLILDQPTNHLDLPSREQLEQTLSEFTGTIITVSHDHYFLNKLCDRLLV
FENQQIKRFEMKPQEYLNKDVKSGDRSEEAMLIIENKIALILGELSLIDQ
NNPKYYRLDEEFNELLKQKRNLK
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 chain8buu Chain 9 Residue 704 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8buu Genome-encoded ABCF factors implicated in intrinsic antibiotic resistance in Gram-positive bacteria: VmlR2, Ard1 and CplR.
Resolution2.9 Å
Binding residue
(original residue number in PDB)
T48 L436
Binding residue
(residue number reindexed from 1)
T46 L434
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity

View graph for
Molecular Function
External links
PDB RCSB:8buu, PDBe:8buu, PDBj:8buu
PDBsum8buu
PubMed36951104
UniProtW1SM44

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