4UBV

Structure of the 3-ketoacyl-CoA thiolase FadA5 from M. tuberculosis with an partially acetylated cysteine in complex with acetyl-CoA and 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 (A, B)	Acetyl-CoA acetyltransferase FadA5	polymer	399	42346.7	2	UniProt (I6XHI4) Pfam (PF00108) Pfam (PF02803)	Mycobacterium tuberculosis	Probable acetyl-CoA acetyltransferase FadA5 (Acetoacetyl-CoA thiolase)
2	C (A)	ACETYL COENZYME *A	non-polymer		809.6	1	Chemie (ACO) PubChem (25210474) PubChem (24860528) PubChem (53393727) PubChem (56846401) PubChem (44141873) PubChem (45254004) PubChem (444493) PubChem (53245716) PubChem (87656764) PubChem (181) PubChem (6302) PubChem (87656765) PubChem (89102998) PubChem (91746285) PubChem (6857822) PubChem (6917106) PubChem (134956084) PubChem (10079099) PubChem (124511019) PubChem (11987898) PubChem (16061174) PubChem (124931617) PubChem (129274027) PubChem (154496096) PubChem (162968672) PubChem (170108977)
3	D, M (A, B)	COENZYME A	non-polymer		767.5	2	Chemie (COA)
4	E, F, N (A, B)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
5	G, H, O, P, Q... (A, B)	1,4-DIETHYLENE DIOXIDE	non-polymer		88.1	7	Chemie (DIO)
6	AA, I, J, K, L... (B, A)	GLYCEROL	non-polymer		92.1	12	Chemie (GOL) PubChem (753)
7	BA, CA (A, B)	water	water		18.0	281	Chemie (HOH)

Sequence modifications

A, B: 1 - 391 (UniProt: I6XHI4)

PDB	External Database	Details
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Cys 93	Scy 101	microheterogeneity/modified residue

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	84693.4
Non-Polymers*	Number of molecules	25
	Total formula weight	4354.7
All*	Total formula weight	89048.1

*Water molecules are not included.