9ZAW

HMG-CoA synthase 1 (HMGCS1) bound to inhibitor compound CNP7

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Hydroxymethylglutaryl-CoA synthase, cytoplasmic	polymer	478	53290.8	2	UniProt (Q01581)	Homo sapiens (human)	HMG-CoA synthase,3-hydroxy-3-methylglutaryl coenzyme A synthase
2	C, D (A, B)	(3S)-1-[(Z)-iminomethyl]-N-({(1P)-3'-[(prop-2-yn-1-yl)carbamoyl][1,1'-biphenyl]-3-yl}methyl)pyrrolidine-3-carboxamide	non-polymer		388.5	2	Chemie (A1C1C)

Sequence modifications

A, B: 16 - 470 (UniProt: Q01581)

PDB	External Database	Details
Met -7	-	initiating methionine
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
Ser 0	-	expression tag
Ser 1	-	expression tag
Gly 2	-	expression tag
Val 3	-	expression tag
Asp 4	-	expression tag
Leu 5	-	expression tag
Gly 6	-	expression tag
Thr 7	-	expression tag
Glu 8	-	expression tag
Asn 9	-	expression tag
Leu 10	-	expression tag
Tyr 11	-	expression tag
Phe 12	-	expression tag
Gln 13	-	expression tag
Ser 14	-	expression tag
Met 15	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	106581.7
Non-Polymers*	Number of molecules	2
	Total formula weight	776.9
All*	Total formula weight	107358.6

*Water molecules are not included.