3IOE

Crystal Structure of Mycobacterium Tuberculosis Pantothenate Synthetase at 1.95 Ang resolution in complex with 5'-deoxy-5'-((R)-3,4-dihydroxybutylthio)-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	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	5'-S-[(3R)-3,4-dihydroxybutyl]-5'-thioadenosine	non-polymer		371.4	2	Chemie (A7D)
3	A	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
4	A, B	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
5	A	ETHANOL	non-polymer		46.1	2	Chemie (EOH)
6		water	water		18.0	443	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	8
	Total formula weight	1211.3
All*	Total formula weight	64353.6

*Water molecules are not included.