Structure of PDB 3py5 Chain A Binding Site BS01

Receptor Information
>3py5 Chain A (length=270) Species: 359391 (Brucella abortus 2308) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPRNCLRFTLLGCGSSPGVPRINGDWGKCDPKNPKNRRRRASLLVERYDA
EGNNTVVVIDTGPDFRMQMIDSGVHMLDAAVYTHPHADHIHGIDDLRTYV
VDNGRLMDVYANRLTRNRLYDTFGYCFETPVGSSYPPILSMHDIAPETPF
SIEGAGGAIRFEPFSQVHGDIESLGFRIGSVVYCTDVSAFPEQSLQYIKD
ADVLIIGALQYRPHPSHFSLGEALEWIEKLSPKRAILTHMHVPLDYETVM
RETPHHVEPGYDGLRFEVAV
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 chain3py5 Chain A Residue 300 [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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PDB3py5 BrabA.11339.a: anomalous diffraction and ligand binding guide towards the elucidation of the function of a `putative beta-lactamase-like protein from Brucella melitensis.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D90 H91 D188 H241
Binding residue
(residue number reindexed from 1)		D88 H89 D186 H239
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3py5, PDBe:3py5, PDBj:3py5
PDBsum3py5
PubMed21904058
UniProtQ2YQ74

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