Structure of PDB 2jfr Chain A Binding Site BS02

Receptor Information
>2jfr Chain A (length=234) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMASVLSAATATDQGPVRENNQDACLADGILYAVADGFGARGHHASATAL
KTLSAGFAAAPDRDGLLEAVQQANLRVFELLGDEPTVSGTTLTAVAVFEP
GQGGPLVVNIGDSPLYRIRDGHMEQLTDDHSVAGELVRMGEITRHEARWH
PQRHLLTRALGIGPHIGPDVFGIDCGPGDRLLISSDGLFAAADEALIVDA
ATSPDPQVAVRRLVEVANDAGGSDNTTVVVIDLG
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 chain2jfr Chain A Residue 1235 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2jfr Insights Into the Mechanism of Ppm Ser/Thr Phosphatases from the Atomic Resolution Structures of a Mycobacterial Enzyme
Resolution0.83 Å
Binding residue
(original residue number in PDB)		D35 D185 D223
Binding residue
(residue number reindexed from 1)		D36 D186 D224
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.16: protein-serine/threonine phosphatase.
Gene Ontology
Molecular Function
GO:0004722 protein serine/threonine phosphatase activity
GO:0046872 metal ion binding
Biological Process
GO:0006470 protein dephosphorylation

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:2jfr, PDBe:2jfr, PDBj:2jfr
PDBsum2jfr
PubMed17637345
UniProtA0QTQ6

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