Structure of PDB 2cbi Chain B Binding Site BS02

Receptor Information
>2cbi Chain B (length=584) Species: 1502 (Clostridium perfringens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLVPNLNPTPENLEVVGDGFKITSSINLVGEEEADENAVNALREFLTANN
IEINSENDPNSTTLIIGEVDDDIPELDEALNGTTAENLKEEGYALVSNDG
KIAIEGKDGDGTFYGVQTFKQLVKESNIPEVNITDYPTVSARGIVEGFYG
TPWTHQDRLDQIKFYGENKLNTYIYAPKDDPYHREKWREPYPESEMQRMQ
ELINASAENKVDFVFGISPGIDIRFDGDAGEEDFNHLITKAESLYDMGVR
SFAIYWDDIQDKSAAKHAQVLNRFNEEFVKAKGDVKPLITVPTEYDTGAM
VSNGQPRAYTRIFAETVDPSIEVMWTGPGVVTNEIPLSDAQLISGIYNRN
MAVWWNYPVTDYFKGKLALGPMHGLDKGLNQYVDFFTVNPMEHAELSKIS
IHTAADYSWNMDNYDYDKAWNRAIDMLYGDLAEDMKVFANHSTRMDNKTW
AKSGREDAPELRAKMDELWNKLSSKEDASALIEELYGEFARMEEACNNLK
ANLPEVALEECSRQLDELITLAQGDKASLDMIVAQLNEDTEAYESAKEIA
QNKLNTALSSFAVISEKVAQSFIQEALSFDLTLI
Ligand information
Ligand IDGBL
InChIInChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
InChIKeyYEJRWHAVMIAJKC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CC(=O)OC1
ACDLabs 10.04O=C1OCCC1
CACTVS 3.341O=C1CCCO1
FormulaC4 H6 O2
NameGAMMA-BUTYROLACTONE;
DIHYDROFURAN-2(3H)-ONE
ChEMBLCHEMBL95681
DrugBankDB04699
ZINCZINC000004658567
PDB chain2cbi Chain B Residue 1629 [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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PDB2cbi Structural insights into the mechanism and inhibition of eukaryotic O-GlcNAc hydrolysis.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		Y335 W394 N396
Binding residue
(residue number reindexed from 1)		Y295 W354 N356
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.169: protein O-GlcNAcase.
External links
PDB RCSB:2cbi, PDBe:2cbi, PDBj:2cbi
PDBsum2cbi
PubMed16541109
UniProtQ0TR53|OGA_CLOP1 O-GlcNAcase NagJ (Gene Name=nagJ)

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