Structure of PDB 3t91 Chain B Binding Site BS02

Receptor Information
>3t91 Chain B (length=219) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYRVSTGAAHAAKGGGLVSGDSYSMMELGARKYAAAISDGRAHFESNETI
KLLEKILESGIDEKIAIKTINSILSLRTTDEIYSTLDLSIIDLQDASCKF
LKVGSTPSFIKRGDQVMKVQASNLPIGIINEFDVEVVSEQLKAGDLLIMM
SDGIFENHDLWMKRKMKGLKTNDPQEIADLLMEEVIRTRSGQIEDDMTVV
VVRIDHNTPKWASIPVPAI
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 chain3t91 Chain B Residue 900 [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)		T595 M615 E616
Binding residue
(residue number reindexed from 1)		T6 M26 E27
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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