5FI2

Crystal structure of human GAC in complex with inhibitor UPGL_00009: 2-phenyl-~{N}-[5-[[(3~{R})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol- 2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide

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, D	2-phenyl-~{N}-[5-[[(3~{R})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide	non-polymer		520.6	2	Chemie (5XX)
3		water	water		18.0	700	Chemie (HOH)

Sequence modifications

A, B, C, D: 71 - 597 (UniProt: O94925)

PDB	External Database	Details
Met 59	-	initiating methionine
Arg 60	-	expression tag
Gly 61	-	expression tag
Ser 62	-	expression tag
His 63	-	expression tag
His 64	-	expression tag
His 65	-	expression tag
His 66	-	expression tag
His 67	-	expression tag
His 68	-	expression tag
Gly 69	-	expression tag
Ser 70	-	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	1041.3
All*	Total formula weight	238871.6

*Water molecules are not included.