4MUF

Crystal structure of pantothenate synthetase in complex with 2-(2-(4-tert-butylphenylsulfonylcarbamoyl)-5-methoxy-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	ETHANOL	non-polymer		46.1	3	Chemie (EOH)
3	A, B	(2-{[(4-tert-butylphenyl)sulfonyl]carbamoyl}-5-methoxy-1H-indol-1-yl)acetic acid	non-polymer		444.5	2	Chemie (2DJ)
4		water	water		18.0	215	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	5
	Total formula weight	1027.2
All*	Total formula weight	64027.4

*Water molecules are not included.