Structure of PDB 3t91 Chain A Binding Site BS01

Receptor Information
>3t91 Chain A (length=210) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMSYRVSTGAAHAAKGGGLVSGDSYSMMELGARKYAAAISDGRAHFESNE
TIKLLEKILESGIDEKIAIKTINSILSLRIYSTLDLSIIDLQDASCKFLK
VGSTPSFIKRGDQVMKVQASIINEFDVEVVSEQLKAGDLLIMMSDGIFEG
PKHVENHDLWMKRKMKGLKTNDPQEIADLLMEEVIRTRSGQIEDDMTVVV
VRIDHNTPKW
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 chain3t91 Chain A Residue 1 [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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PDB3t91 Structure of the phosphatase domain of the cell fate determinant SpoIIE from Bacillus subtilis.
Resolution2.64 Å
Binding residue
(original residue number in PDB)		D746 D795
Binding residue
(residue number reindexed from 1)		D145 D194
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.16: protein-serine/threonine phosphatase.
External links
PDB RCSB:3t91, PDBe:3t91, PDBj:3t91
PDBsum3t91
PubMed22115775
UniProtP37475|SP2E_BACSU Stage II sporulation protein E (Gene Name=spoIIE)

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