5KKN

Crystal structure of human ACC2 BC domain in complex with ND-646, the primary amide of ND-630

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 2	polymer	540	60092.9	2	UniProt (O00763) Pfam (PF00289) Pfam (PF02786) Pfam (PF02785)	Homo sapiens (Human)	ACC-beta
2	C, D (B, C)	2-[1-[(2~{R})-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-bis(oxidanylidene)thieno[2,3-d]pyrimidin-3-yl]-2-methyl-propanamide	non-polymer		568.6	2	Chemie (6U3)
3	E, F (B, C)	water	water		18.0	26	Chemie (HOH)

Sequence modifications

B, C: 238 - 760 (UniProt: O00763)

PDB	External Database	Details
Met 221	-	initiating methionine
Gly 222	-	expression tag
Ser 223	-	expression tag
Ser 224	-	expression tag
His 225	-	expression tag
His 226	-	expression tag
His 227	-	expression tag
His 228	-	expression tag
His 229	-	expression tag
His 230	-	expression tag
Glu 231	-	expression tag
Asn 232	-	expression tag
Leu 233	-	expression tag
Tyr 234	-	expression tag
Phe 235	-	expression tag
Gln 236	-	expression tag
Gly 237	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	120185.9
Non-Polymers*	Number of molecules	2
	Total formula weight	1137.3
All*	Total formula weight	121323.2

*Water molecules are not included.