5JYO

Allosteric inhibition of Kidney Isoform of Glutaminase

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, E... (D, A, B, C, E...)	Glutaminase kidney isoform, mitochondrial	polymer	333	36634.7	8	UniProt (O94925) Pfam (PF04960)	Homo sapiens (Human)	GLS,K-glutaminase,L-glutamine amidohydrolase
2	I, J, K, L (D, C, F)	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	4	Chemie (63J)
3	M, N, O, P, Q... (D, A, B, C, E...)	water	water		18.0	1237	Chemie (HOH)

Sequence modifications

D, A, B, C, E, F, G, H: 221 - 533 (UniProt: O94925)

PDB	External Database	Details
Met 201	-	expression tag
Gly 202	-	expression tag
Ser 203	-	expression tag
Ser 204	-	expression tag
His 205	-	expression tag
His 206	-	expression tag
His 207	-	expression tag
His 208	-	expression tag
His 209	-	expression tag
His 210	-	expression tag
Ser 211	-	expression tag
Ser 212	-	expression tag
Gly 213	-	expression tag
Leu 214	-	expression tag
Val 215	-	expression tag
Pro 216	-	expression tag
Arg 217	-	expression tag
Gly 218	-	expression tag
Ser 219	-	expression tag
Met 220	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	293077.9
Non-Polymers*	Number of molecules	4
	Total formula weight	2286.3
All*	Total formula weight	295364.2

*Water molecules are not included.