3ZXR

Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with tri-substituted imidazole inhibitor (3-(2-tert-butyl- 5-(pyridin-4-yl)-1H-imidazol-4-yl)quinoline) 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) UniProt (E2UB91) UniProt (F2GJU9) Pfam (PF03951) Pfam (PF00120) UniProt (by SIFTS) (P9WN39)	MYCOBACTERIUM TUBERCULOSIS	GLUTAMATE--AMMONIA LIGASE 1
2	BA, G, IA, N, PA... (D, A, E, B, F...)	3-(2-TERT-BUTYL-5-(PYRIDIN-4-YL)-1H-IMIDAZOL-4-YL)QUINOLINE	non-polymer		328.4	6	Chemie (IQ1)
3	CA, DA, EA, H, I... (D, A, E, B, F...)	MAGNESIUM ION	non-polymer		24.3	18	Chemie (MG)
4	FA, K, MA, R, TA... (D, A, E, B, F...)	L-METHIONINE-S-SULFOXIMINE PHOSPHATE	non-polymer		260.2	6	Chemie (P3S)
5	GA, L, NA, S, UA... (D, A, E, B, F...)	PHOSPHATE ION	non-polymer		95.0	6	Chemie (PO4)
6	AA, HA, M, OA, T... (C, D, A, E, B...)	CHLORIDE ION	non-polymer		35.5	6	Chemie (CL)
7	AB, BB, WA, XA, YA... (E, F, A, B, C...)	water	water		18.0	1410	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F: 2 - 478 (UniProt: P0A590)

PDB	External Database	Details
Met -7	-	expression tag
Ala -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Gly 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	327508.4
Non-Polymers*	Number of molecules	42
	Total formula weight	4751.7
All*	Total formula weight	332260.1

*Water molecules are not included.