4WYO

Crystal structure of human-yeast chimera acetyl coA carboxylase CT domain bound to Compound 1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (B, C)	Acetyl-CoA carboxylase	polymer	769	87220.8	2	UniProt (Q00955) Pfam (PF01039)	Saccharomyces cerevisiae (Baker's yeast)	ACC,Fatty acid synthetase 3,mRNA transport-defective protein 7
2	C, D (B, C)	2'-tert-butyl-1-(2H-indazol-5-ylcarbonyl)-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'H)-one	non-polymer		407.5	2	Chemie (3W2)
3	E, F (B, C)	water	water		18.0	547	Chemie (HOH)

Sequence modifications

B, C: 1476 - 2233 (UniProt: Q00955)

PDB	External Database	Details
Met 1473	-	initiating methionine
Ala 1474	-	expression tag
Ser 1475	-	expression tag
Ser 1760	Pro 1760	engineered mutation
Leu 1762	Ile 1762	engineered mutation
Val 1765	Met 1765	engineered mutation
Gln 1919	Glu 1919	engineered mutation
Ala 1920	Pro 1920	engineered mutation
Phe 1925	His 1925	engineered mutation
Glu 2028	Gln 2028	engineered mutation
Thr 2030	Met 2030	engineered mutation
Glu 2032	Gly 2032	engineered mutation
Leu 2234	-	expression tag
Glu 2235	-	expression tag
His 2236	-	expression tag
His 2237	-	expression tag
His 2238	-	expression tag
His 2239	-	expression tag
His 2240	-	expression tag
His 2241	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	174441.7
Non-Polymers*	Number of molecules	2
	Total formula weight	814.9
All*	Total formula weight	175256.6

*Water molecules are not included.