8W2D

holo-PCP-Thioesterase di-domain structure from the sulfazecin biosynthetic nonribosomal peptide synthetase, SulM

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)	Non-ribosomal peptide synthetase	polymer	345	37419.3	2	UniProt (A0A1I9RH13) Pfam (PF00550)	Paraburkholderia acidicola	SulM
2	C, G (A, B)	4'-PHOSPHOPANTETHEINE	non-polymer		358.3	2	Chemie (PNS)
3	D, E, F, H, I (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	5	Chemie (EDO)
4	J, K (A, B)	water	water		18.0	28	Chemie (HOH)

Sequence modifications

A, B: 2660 - 2984 (UniProt: A0A1I9RH13)

PDB	External Database	Details
Gly 2640	-	expression tag
Ser 2641	-	expression tag
Ser 2642	-	expression tag
His 2643	-	expression tag
His 2644	-	expression tag
His 2645	-	expression tag
His 2646	-	expression tag
His 2647	-	expression tag
His 2648	-	expression tag
Ser 2649	-	expression tag
Ser 2650	-	expression tag
Gly 2651	-	expression tag
Leu 2652	-	expression tag
Val 2653	-	expression tag
Pro 2654	-	expression tag
Arg 2655	-	expression tag
Gly 2656	-	expression tag
Ser 2657	-	expression tag
His 2658	-	expression tag
Met 2659	-	expression tag
Ala 2818	Cys 2818	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	74838.6
Non-Polymers*	Number of molecules	7
	Total formula weight	1027.0
All*	Total formula weight	75865.6

*Water molecules are not included.