5LNQ

Crystal structure of SCP2 thiolase from Leishmania mexicana. Complex of the C123A mutant with acetoacetyl-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)	3-ketoacyl-CoA thiolase-like protein	polymer	457	49225.9	4	UniProt (E9AW84) Pfam (PF00108) Pfam (PF22691)	Leishmania mexicana
2	E, F, G (A, B, D)	ACETOACETYL-COENZYME A	non-polymer		851.6	3	Chemie (CAA)
3	H, I, J, K (A, B, C, D)	water	water		18.0	830	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 441 (UniProt: E9AW84)

PDB	External Database	Details
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Leu 6	Met 6	conflict
Ala 12	Thr 12	conflict
Pro 31	Lys 31	conflict
Ile 34	Val 34	conflict
Lys 45	Gln 45	conflict
Gly 59	His 59	conflict
Met 61	Ile 61	conflict
His 63	Asn 63	conflict
Ser 64	Val 64	conflict
Gly 65	Ser 65	conflict
Ser 67	Lys 67	conflict
Arg 69	Lys 69	conflict
Gly 71	Asp 71	conflict
Ser 107	Ala 107	conflict
Met 112	Ile 112	conflict
Ala 123	Cys 123	engineered mutation
Met 134	Thr 134	conflict
Ser 139	Ala 139	conflict
Thr 145	Val 145	conflict
Ser 157	Thr 157	conflict
Gln 176	Lys 176	conflict
Thr 229	Ser 229	conflict
Val 268	Ala 268	conflict
Arg 277	Lys 277	conflict
Ile 327	Val 327	conflict
Glu 356	Asp 356	conflict
Asp 368	Glu 368	conflict
Ile 398	Val 398	conflict
Glu 410	Gly 410	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	196903.7
Non-Polymers*	Number of molecules	3
	Total formula weight	2554.8
All*	Total formula weight	199458.5

*Water molecules are not included.