Structure of PDB 3t9q Chain B Binding Site BS01

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 IDGL0
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-AIECOIEWSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-gulopyranose;
beta-D-gulose;
D-gulose;
gulose
ChEMBL
DrugBank
ZINCZINC000000895350
PDB chain3t9q Chain A Residue 5 [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)		S594 T595 M614 E616 Y622
Binding residue
(residue number reindexed from 1)		S6 T7 M26 E28 Y34
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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