3IOC

Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 2.50 Ang resolution in complex with 5'-deoxy-5'-(benzyldisulfanyl)-adenosine

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	301	31571.2	2	UniProt (P0A5R0) Pfam (PF02569) UniProt (by SIFTS) (P9WIL5)	Mycobacterium tuberculosis	PS, Pantoate--beta-alanine ligase, Pantoate-activating enzyme
2	C, D (A)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
3	E, F (A, B)	(2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[(benzyldisulfanyl)methyl]tetrahydrofuran-3,4-diol	non-polymer		405.5	2	Chemie (A5D)
4	G, H (A, B)	water	water		18.0	200	Chemie (HOH)

Sequence modifications

A, B: 1 - 300 (UniProt: P0A5R0)

PDB	External Database	Details
Ala 0	-	expression tag
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	4
	Total formula weight	995.2
All*	Total formula weight	64137.5

*Water molecules are not included.