3ZXV
Crystal structure of Mycobacterium Tuberculosis Glutamine Synthetase in complex with tri-substituted imidazole inhibitor (4-(2-tert-butyl- 4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl)pyridin-2-amine) 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-(2-TERT-BUTYL-4-(6-METHOXYNAPHTHALEN-2-YL)-3H-IMIDAZOL-4-YL)PYRIDIN-2-AMINE | non-polymer | 372.5 | 6 | Chemie (MXI) | |||
3 | D, A, E, B, F... | MAGNESIUM ION | non-polymer | 24.3 | 18 | Chemie (MG) | |||
4 | D, A, E, B, F... | L-METHIONINE-S-SULFOXIMINE PHOSPHATE | non-polymer | 260.2 | 6 | Chemie (P3S) | |||
5 | D, A, E, B, F... | PHOSPHATE ION | non-polymer | 95.0 | 6 | Chemie (PO4) | |||
6 | C, D, A, E, B... | CHLORIDE ION | non-polymer | 35.5 | 6 | Chemie (CL) | |||
7 | water | water | 18.0 | 1104 | 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 |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 6 |
Total formula weight | 327508.4 | |
Non-Polymers* | Number of molecules | 42 |
Total formula weight | 5016.0 | |
All* | Total formula weight | 332524.4 |