8W2C

Thioesterase domain structure from 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	282	30406.5	2	UniProt (A0A1I9RH13)	Paraburkholderia acidicola	SulM
2	C, D, E, F, G... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	7	Chemie (EDO)
3	I (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
4	K, L (A, B)	water	water		18.0	283	Chemie (HOH)

Sequence modifications

A, B: 2723 - 2984 (UniProt: A0A1I9RH13)

PDB	External Database	Details
Gly 2703	-	expression tag
Ser 2704	-	expression tag
Ser 2705	-	expression tag
His 2706	-	expression tag
His 2707	-	expression tag
His 2708	-	expression tag
His 2709	-	expression tag
His 2710	-	expression tag
His 2711	-	expression tag
Ser 2712	-	expression tag
Ser 2713	-	expression tag
Gly 2714	-	expression tag
Leu 2715	-	expression tag
Val 2716	-	expression tag
Pro 2717	-	expression tag
Arg 2718	-	expression tag
Gly 2719	-	expression tag
Ser 2720	-	expression tag
His 2721	-	expression tag
Met 2722	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	60813.0
Non-Polymers*	Number of molecules	8
	Total formula weight	457.5
All*	Total formula weight	61270.5

*Water molecules are not included.