Structure of PDB 2cbi Chain B Binding Site BS01

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 IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain2cbi Chain B Residue 1626 [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)		D117 E145
Binding residue
(residue number reindexed from 1)		D77 E105
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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