2WHI

Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with a purine analogue inhibitor and L-methionine-S- sulfoximine phosphate.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E... (A, B, C, D, E...)	GLUTAMINE SYNTHETASE 1	polymer	486	54584.7	6	UniProt (P0A590) Pfam (PF03951) Pfam (PF00120) UniProt (by SIFTS) (P9WN39)	MYCOBACTERIUM TUBERCULOSIS	GLUTAMATE--AMMONIA LIGASE 1
2	EA, G, MA, O, UA... (D, A, E, B, F...)	1-(3,4-dichlorobenzyl)-3,7-dimethyl-8-morpholin-4-yl-3,7-dihydro-1H-purine-2,6-dione	non-polymer		424.3	6	Chemie (1AZ)
3	FA, GA, H, HA, I... (D, A, E, B, F...)	MAGNESIUM ION	non-polymer		24.3	18	Chemie (MG)
4	AA, IA, K, QA, S... (C, D, A, E, B...)	L-METHIONINE-S-SULFOXIMINE PHOSPHATE	non-polymer		260.2	6	Chemie (P3S)
5	BA, JA, L, RA, T... (C, D, A, E, B...)	PHOSPHATE ION	non-polymer		95.0	6	Chemie (PO4)
6	AB, CA, KA, M, SA... (F, C, D, A, E...)	CHLORIDE ION	non-polymer		35.5	6	Chemie (CL)
7	BB, DA, LA, N, TA... (F, C, D, A, E...)	PENTAETHYLENE GLYCOL	non-polymer		238.3	6	Chemie (1PE)
8	CB, DB, EB, FB, GB... (A, B, C, D, E...)	water	water		18.0	1649	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F: -7 - 1 (PDB: 2WHI)
A, B, C, D, E, F: 2 - 478 (UniProt: P0A590)

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	327508.4
Non-Polymers*	Number of molecules	48
	Total formula weight	6756.6
All*	Total formula weight	334265.0

*Water molecules are not included.