5KP8

Crystal Structure of the Curacin Biosynthetic Pathway HMG Synthase in Complex with Acetyl Donor-ACP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	CurD	polymer	443	49225.6	1	UniProt (F4Y432) Pfam (PF01154) Pfam (PF08540) In PDB	Moorea producens 3L	Hydroxymethylglutaryl-CoA synthase
2	B	CurB	polymer	102	11452.1	1	UniProt (Q6DNF1) Pfam (PF00550) In PDB	Lyngbya majuscula
3	B	4'-PHOSPHOPANTETHEINE	non-polymer		358.3	1	Chemie (PNS)
4	B	~{S}-[2-[3-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] ethanethioate	non-polymer		400.4	1	Chemie (6VG)
5		water	water		18.0	219	Chemie (HOH)

Sequence modifications

A: 1 - 419 (UniProt: F4Y432)

PDB	External Database	Details
Met -23	-	initiating methionine
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
Gly -14	-	expression tag
Val -13	-	expression tag
Asp -12	-	expression tag
Leu -11	-	expression tag
Gly -10	-	expression tag
Thr -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Ser -2	-	expression tag
Asn -1	-	expression tag
Ala 0	-	expression tag
Ser 114	Cys 114	engineered mutation
Ala 344	Lys 344	engineered mutation
Ala 345	Gln 345	engineered mutation
Ala 347	Gln 347	engineered mutation

B: 1 - 78 (UniProt: Q6DNF1)

PDB	External Database	Details
Met -23	-	initiating methionine
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
Gly -14	-	expression tag
Val -13	-	expression tag
Asp -12	-	expression tag
Leu -11	-	expression tag
Gly -10	-	expression tag
Thr -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Ser -2	-	expression tag
Asn -1	-	expression tag
Ala 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	60677.8
Non-Polymers*	Number of molecules	2
	Total formula weight	758.7
All*	Total formula weight	61436.5

*Water molecules are not included.