Structure of PDB 8beg Chain A Binding Site BS01

Receptor Information
>8beg Chain A (length=650) Species: 1351 (Enterococcus faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVLVPNKEVTDGQKNINDLNVKRGDSLQYIVTGDTTELAKVDPKTVTKQG
IRDTFDAEKVTIDLSKVKVYQADASLNEKDLKAVAAAINSGKAKDVTASY
DLNLDQNTVTAMMKTNADGSVVLAMGYKYLLVLPFVVKNVEGDFENTAVQ
LTNDGETVTNTVINHVPSSNPSKDVKADKNGTVGSVSLHDKDIPLQTKIY
YEVKSSERPANYGGITEEWGMNDVLDTTHDRFTGKWHAITNYDLKVGDKT
LKAGTDISAYILLENKDNKDLTFTMNQALLAALNEGSNKVGKQAWSVYLE
VERIKTGDVENTQTENYNKELVRSNTVVTHTPDDPKPTKAVHNKKGEDIN
HGKVARGDVLSYEMTWDLKGYDKDFAFDTVDLATGVSFFDDYDETKVTPI
KDLLRVKDSKGVDITNQFTISWDDAKGTVTISAKDPQAFILAYGGQELRV
TLPTKVKADVSGDVYNSAEQNTFGQRIKTNTVVNHIPKVNPKKDVVIKVG
DKQSQNGATIKLGEKFFYEFTSSDIPAEYAGVVEEWSISDKLDVKHDKFS
GQWSVFANSNFVLADGTKVNKGDDISKLFTMTFDKGVVKITASQAFLDAM
NLKENKNVAHSWKAFIGVERIAAGDVYNTIEESFNNEKIKTNTVVTHTPE
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 chain8beg Chain A Residue 1301 [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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PDB8beg New structural insights provide mechanistic understanding of enterococcal PrgB conjugation, biofilm formation and virulence
Resolution1.84 Å
Binding residue
(original residue number in PDB)		D974 Y975 K1009 G1010
Binding residue
(residue number reindexed from 1)		D391 Y392 K426 G427
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links