5WJ6

Crystal structure of glutaminase C in complex with inhibitor 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide (UPGL-00004)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, D (A, C, D)	Glutaminase kidney isoform, mitochondrial	polymer	539	59429.5	3	UniProt (O94925) Pfam (PF17959) Pfam (PF04960)	Homo sapiens (Human)	GLS,K-glutaminase, L-glutamine amidohydrolase
2	B (B)	Glutaminase kidney isoform, mitochondrial	polymer	539	59415.5	1	UniProt (O94925) Pfam (PF17959) Pfam (PF04960)	Homo sapiens (Human)	GLS,K-glutaminase, L-glutamine amidohydrolase
3	E, F (A, C)	2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide	non-polymer		534.7	2	Chemie (B4A)
4	G, H, I, J (A, B, C, D)	water	water		18.0	650	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 60	-	expression tag
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
Ala 268	Val 268	conflict

B: 72 - 598 (UniProt: O94925)

PDB	External Database	Details
Met 60	-	expression tag
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
Asn 205	Gln 205	conflict
Ala 268	Val 268	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	237704.1
Non-Polymers*	Number of molecules	2
	Total formula weight	1069.3
All*	Total formula weight	238773.4

*Water molecules are not included.