Structure of PDB 8bvk Chain A Binding Site BS01

Receptor Information
>8bvk Chain A (length=225) Species: 358 (Agrobacterium tumefaciens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLDDSKTLPIAAQMYTLRNAGTLEEQLAILNRAGVSAVETVDMQKVSASE
LNALLEKHKIKVISSHVPIDKLRGNLDEVITEQKAVGNPVVTVPFLKPED
RPKDAAGWTAFGKELGGYADKLSAAGLSMAYHNHDFEMVKFDGKTALELL
LDAAGPKLQSELDVAWVARSGNDPAEFLGTLNGRVFAIHAKDDAPAGTAL
DWKTILPAAKHAGAQWFILEHDLPL
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain8bvk 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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PDB8bvk Enzymatic beta-elimination in natural product deglycosylation: C-C bond cleavage as a specialty of a conserved mechanism
Resolution2.0 Å
Binding residue
(original residue number in PDB)
E39 H66 H132 E161
Binding residue
(residue number reindexed from 1)
E39 H66 H132 E161
Annotation score4
External links