5HL1

Crystal structure of glutaminase C in complex with inhibitor CB-839

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	Glutaminase kidney isoform, mitochondrial	polymer	539	59457.6	4	UniProt (O94925) Pfam (PF17959) Pfam (PF04960) In PDB	Homo sapiens (Human)	GLS,K-glutaminase,L-glutamine amidohydrolase
2	A, B	2-(pyridin-2-yl)-N-(5-{4-[6-({[3-(trifluoromethoxy)phenyl]acetyl}amino)pyridazin-3-yl]butyl}-1,3,4-thiadiazol-2-yl)acetamide	non-polymer		571.6	2	Chemie (63J)
3		water	water		18.0	422	Chemie (HOH)

Sequence modifications

A, B, C, D: 72 - 598 (UniProt: O94925)

PDB	External Database	Details
Met 60	-	initiating methionine
Arg 61	-	expression tag
Gly 62	-	expression tag
Ser 63	-	expression tag
His 64	-	expression tag
His 65	-	expression tag
His 66	-	expression tag
His 67	-	expression tag
His 68	-	expression tag
His 69	-	expression tag
Gly 70	-	expression tag
Ser 71	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	237830.4
Non-Polymers*	Number of molecules	2
	Total formula weight	1143.1
All*	Total formula weight	238973.5

*Water molecules are not included.