4ACF

CRYSTAL STRUCTURE OF MYCOBACTERIUM TUBERCULOSIS GLUTAMINE SYNTHETASE IN COMPLEX WITH IMIDAZOPYRIDINE INHIBITOR ((4-(6-BROMO-3-(BUTYLAMINO)IMIDAZO(1,2-A)PYRIDIN-2-YL)PHENOXY) ACETIC ACID) 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...	GLUTAMINE SYNTHETASE 1	polymer	486	54584.7	6	UniProt (P0A590) Pfam (PF03951) Pfam (PF00120) UniProt (by SIFTS) (P9WN39) In PDB	MYCOBACTERIUM TUBERCULOSIS	GLUTAMATE--AMMONIA LIGASE 1
2	D, A, E, B, F...	{4-[6-BROMO-3-(BUTYLAMINO)IMIDAZO[1,2-A]PYRIDIN-2-YL]PHENOXY}ACETIC ACID	non-polymer		418.3	6	Chemie (46B)
3	F, C, D, A, E...	MAGNESIUM ION	non-polymer		24.3	24	Chemie (MG)
4	C, D, A, E, B...	L-METHIONINE-S-SULFOXIMINE PHOSPHATE	non-polymer		260.2	6	Chemie (P3S)
5	C, D, A, E, B...	PHOSPHATE ION	non-polymer		95.0	6	Chemie (PO4)
6	F, C, D, A, E...	CHLORIDE ION	non-polymer		35.5	6	Chemie (CL)
7		water	water		18.0	1926	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	48
	Total formula weight	5436.8
All*	Total formula weight	332945.2

*Water molecules are not included.