Structure of PDB 1s3n Chain A Binding Site BS01

Receptor Information
>1s3n Chain A (length=165) Species: 2190 (Methanocaldococcus jannaschii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKIGIMSDTHDHLPNIRKAIEIFNDENVETVIHCGDFVSLFVIKEFENLN
ANIIATYGNNDGERCKLKEWLKDINEENIIDDFISVEIDDLKFFITHGHH
QSVLEMAIKSGLYDVVIYGHTHERVFEEVDDVLVINPGECCGYLTGIPTI
GILDTEKKEYREIVL
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 chain1s3n Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1s3n Structural and functional characterization of a novel phosphodiesterase from Methanococcus jannaschii
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D36 N59 H97 H120
Binding residue
(residue number reindexed from 1)		D36 N59 H97 H120
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Q101
Catalytic site (residue number reindexed from 1) Q101
Enzyme Commision number 3.1.4.-
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:1s3n, PDBe:1s3n, PDBj:1s3n
PDBsum1s3n
PubMed15128743
UniProtQ58346|P936_METJA Phosphodiesterase MJ0936 (Gene Name=MJ0936)

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