Structure of PDB 3t9q Chain B Binding Site BS02

Receptor Information
>3t9q Chain B (length=227) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSYRVSTGAAHAAKGGGLVSGDSYSMMELGARKYAAAISDGARAHFESNE
TIKLLEKILESGIDEKIAIKTINSILSLRTTDEIYSTLDLSIIDLQDASC
KFLKVGSTPSFIKRGDQVMKVQASNLPIGIINEFDVEVVSEQLKAGDLLI
MMSDGIFEGPKHVENHDLWMKRKMKGLKTNDPQEIADLLMEEVIRTRSGQ
IEDDMTVVVVRIDHNTPKWASIPVPAI
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 chain3t9q Chain B Residue 3 [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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PDB3t9q Structure of the phosphatase domain of the cell fate determinant SpoIIE from Bacillus subtilis.
Resolution2.76 Å
Binding residue
(original residue number in PDB)
D746 D795
Binding residue
(residue number reindexed from 1)
D154 D203
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.16: protein-serine/threonine phosphatase.
External links
PDB RCSB:3t9q, PDBe:3t9q, PDBj:3t9q
PDBsum3t9q
PubMed22115775
UniProtP37475|SP2E_BACSU Stage II sporulation protein E (Gene Name=spoIIE)

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