5UHL

Crystal structure of the core catalytic domain of human O-GlcNAcase complexed with Thiamet G

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, C)	O-GlcNAcase TIM-barrel domain	polymer	345	39987.3	2	UniProt (O60502) Pfam (PF07555)	Homo sapiens (Human)	OGA,Beta-N-acetylglucosaminidase,Beta-N-acetylhexosaminidase,Beta-hexosaminidase,Meningioma-expressed antigen 5,N-acetyl-beta-D-glucosaminidase,N-acetyl-beta-glucosaminidase,Nuclear cytoplasmic O-GlcNAcase and acetyltransferase,NCOAT
2	B, D (B, D)	O-GlcNAcase stalk domain	polymer	163	18786.6	2	UniProt (O60502)	Homo sapiens (Human)	OGA,Beta-N-acetylglucosaminidase,Beta-N-acetylhexosaminidase,Beta-hexosaminidase,Meningioma-expressed antigen 5,N-acetyl-beta-D-glucosaminidase,N-acetyl-beta-glucosaminidase,Nuclear cytoplasmic O-GlcNAcase and acetyltransferase,NCOAT
3	E, F (A, C)	(2Z,3aR,5R,6S,7R,7aR)-2-(ethylimino)-5-(hydroxymethyl)hexahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol	non-polymer		248.3	2	Chemie (8BJ) PubChem (177106068) PubChem (135907983) PubChem (135566354) PubChem (135797259) PubChem (136058729) PubChem (136058730) PubChem (136081228) PubChem (136199179) PubChem (136240571) PubChem (136607162) PubChem (136607196) PubChem (136607214) PubChem (136988284) PubChem (137014983) PubChem (137030248) PubChem (137030249) PubChem (137083587) PubChem (137121808) PubChem (137138799) PubChem (137176926) PubChem (137222341) PubChem (137230674) PubChem (137247207) PubChem (137303679) PubChem (137705851)
4	G, H, I (A, B, C)	water	water		18.0	7	Chemie (HOH)

Sequence modifications

B, D: 544 - 705 (UniProt: O60502)

PDB	External Database	Details
Met 543	-	initiating methionine

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	117547.8
Non-Polymers*	Number of molecules	2
	Total formula weight	496.6
All*	Total formula weight	118044.4

*Water molecules are not included.