1N2O

Crystal Structure of Pantothenate Synthetase from M. tuberculosis, low occupancy of beta-alanine at the pantoate binding sites

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)	pantothenate synthetase	polymer	300	31500.1	2	UniProt (P0A5R0) Pfam (PF02569) UniProt (by SIFTS) (P9WIL5)	Mycobacterium tuberculosis	Pantoate--beta-alanine ligase, Pantoate activating enzyme
2	C, E (A, B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
3	D, F (A, B)	BETA-ALANINE	non-polymer		89.1	2	Chemie (BAL)
4	G, H (A, B)	water	water		18.0	192	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	4
	Total formula weight	370.3
All*	Total formula weight	63370.5

*Water molecules are not included.