6O0H

Cryo-EM structure of human ATP-citrate lyase in complex with inhibitor NDI-091143

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	ATP-citrate synthase	polymer	1116	122787.1	4	UniProt (P53396) Pfam (PF16114) Pfam (PF02629) Pfam (PF00549) Pfam (PF00285) In PDB	Homo sapiens (Human)	ATP-citrate (pro-S-)-lyase,ACL,Citrate cleavage enzyme
2	A, B, C, D	methyl 3-chloro-5-[(4,6-difluoro[1,1'-biphenyl]-3-yl)sulfamoyl]-4-hydroxybenzoate	non-polymer		453.8	4	Chemie (LBG)
3	A, B, C, D	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	4	Chemie (ADP)

Sequence modifications

A, B, C, D: 1 - 1101 (UniProt: P53396)

PDB	External Database	Details
Lys 1102	-	expression tag
Leu 1103	-	expression tag
Ala 1104	-	expression tag
Ala 1105	-	expression tag
Ala 1106	-	expression tag
Leu 1107	-	expression tag
Glu 1108	-	expression tag
His 1109	-	expression tag
His 1110	-	expression tag
His 1111	-	expression tag
His 1112	-	expression tag
His 1113	-	expression tag
His 1114	-	expression tag
His 1115	-	expression tag
His 1116	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	491148.4
Non-Polymers*	Number of molecules	8
	Total formula weight	3524.2
All*	Total formula weight	494672.6

*Water molecules are not included.