9R90

Cryo-EM structure of human ATP citrate lyase in complex with inhibitor EVT0185-CoA

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 (A, B, C, D)	Isoform 2 of ATP-citrate synthase	polymer	1120	123342.6	4	UniProt (P53396)	Homo sapiens (human)	ATP-citrate (pro-S-)-lyase,ACL,Citrate cleavage enzyme
2	E (A)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	1	Chemie (ADP)
3	F (A)	6-[4-[6-[2-[3-[[4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-5,5-dimethyl-6-oxidanylidene-hexyl]phenyl]-2,2-dimethyl-hexanoic acid	non-polymer		1112.0	1	Chemie (W1K)

Sequence modifications

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

PDB	External Database	Details
Lys 1102	-	expression tag
Gly 1103	-	expression tag
Glu 1104	-	expression tag
Phe 1105	-	expression tag
Glu 1106	-	expression tag
Ala 1107	-	expression tag
Tyr 1108	-	expression tag
Val 1109	-	expression tag
Glu 1110	-	expression tag
Gln 1111	-	expression tag
Lys 1112	-	expression tag
Leu 1113	-	expression tag
Ile 1114	-	expression tag
Ser 1115	-	expression tag
Glu 1116	-	expression tag
Glu 1117	-	expression tag
Asp 1118	-	expression tag
Leu 1119	-	expression tag
Asn 1120	-	expression tag
Ser 1121	-	expression tag
Ala 1122	-	expression tag
Val 1123	-	expression tag
Asp 1124	-	expression tag
His 1125	-	expression tag
His 1126	-	expression tag
His 1127	-	expression tag
His 1128	-	expression tag
His 1129	-	expression tag
His 1130	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	493370.3
Non-Polymers*	Number of molecules	2
	Total formula weight	1539.2
All*	Total formula weight	494909.5

*Water molecules are not included.