6PM9

Crystal structure of the core catalytic domain of human O-GlcNAcase bound to MK-8719

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	O-GlcNAcase TIM-barrel domain	polymer	388	43642.1	4	UniProt (O60502) Pfam (PF07555) In PDB	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	E, F, G, H	O-GlcNAcase stalk domain	polymer	161	18762.5	4	UniProt (O60502) In PDB	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	A, B, C, D	(3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol	non-polymer		268.3	4	Chemie (OQ1)
4		water	water		18.0	35	Chemie (HOH)

Sequence modifications

A, B, C, D: 14 - 400 (UniProt: O60502)

PDB	External Database	Details
Gly 13	-	expression tag

E, F, G, H: 554 - 705 (UniProt: O60502)

PDB	External Database	Details
Met 553	-	initiating methionine
His 706	-	expression tag
His 707	-	expression tag
His 708	-	expression tag
His 709	-	expression tag
His 710	-	expression tag
His 711	-	expression tag
His 712	-	expression tag
His 713	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	249618.3
Non-Polymers*	Number of molecules	4
	Total formula weight	1073.1
All*	Total formula weight	250691.4

*Water molecules are not included.