4DE5

Pantothenate synthetase in complex with fragment 6

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Pantothenate synthetase	polymer	301	31571.2	2	UniProt (P0A5R0) Pfam (PF02569) UniProt (by SIFTS) (P9WIL5) In PDB	Mycobacterium tuberculosis	PS, Pantoate--beta-alanine ligase, Pantoate-activating enzyme
2	A, B	(2S)-2,3-dihydro-1,4-benzodioxine-2-carboxylic acid	non-polymer		180.2	2	Chemie (0JD)
3	A	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
4	A, B	ETHANOL	non-polymer		46.1	2	Chemie (EOH)
5	A, B	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
6		water	water		18.0	398	Chemie (HOH)

Sequence modifications

A, B: 1 - 301 (UniProt: P0A5R0)

PDB	External Database	Details
Ala 2	Thr 2	engineered mutation
Gly 77	Glu 77	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	63142.4
Non-Polymers*	Number of molecules	8
	Total formula weight	760.8
All*	Total formula weight	63903.1

*Water molecules are not included.