Structure of PDB 3n0y Chain A Binding Site BS02

Receptor Information
>3n0y Chain A (length=176) Species: 632 (Yersinia pestis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HFVGKYEVELKFRVMDLTTLHEQLVAQKATAFTLNNHEKDIYLDANGQDL
AKQQISMVLREMNPSGIRLWIVKGPGAERCEASNIEDVSKVQSMLATLGY
HPAFTIEKQRSIYFVGKFHITVDHLTGLGDFAEIAIMTDDATELDKLKAE
CRDFANTFGLQVDQQEPRSYRQLLGF
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 chain3n0y Chain A Residue 182 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3n0y Active-Site Structure of Class IV Adenylyl Cyclase and Transphyletic Mechanism.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		E12 E136
Binding residue
(residue number reindexed from 1)		E9 E133
Annotation score1
Enzymatic activity
Enzyme Commision number 4.6.1.1: adenylate cyclase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016829 lyase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3n0y, PDBe:3n0y, PDBj:3n0y
PDBsum3n0y
PubMed21094652
UniProtA0A2U2H3Y1

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