4MUE

Crystal strcture of pantothenate synthetase in complex with 2-(5-methoxy-2-(4-(trifluoromethyl)phenylsulfonylcarbamoyl)-1H-indol-1-yl)acetic acid

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	300	31500.1	2	UniProt (P0A5R0) In PDB	Mycobacterium tuberculosis	PS, Pantoate--beta-alanine ligase, Pantoate-activating enzyme
2	A, B	[5-methoxy-2-({[4-(trifluoromethyl)phenyl]sulfonyl}carbamoyl)-1H-indol-1-yl]acetic acid	non-polymer		456.4	3	Chemie (2DH)
3	A	ETHANOL	non-polymer		46.1	2	Chemie (EOH)
4	B	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5		water	water		18.0	277	Chemie (HOH)

Sequence modifications

A, B: 1 - 300 (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	63000.2
Non-Polymers*	Number of molecules	7
	Total formula weight	1585.4
All*	Total formula weight	64585.6

*Water molecules are not included.