4BRF
Legionella pneumophila NTPDase1 crystal form II (closed) in complex with a distorted orthomolybdate ion and AMP
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I | polymer | 368 | 41880.6 | 2 | UniProt (Q5ZUA2) Pfam (PF01150) | LEGIONELLA PNEUMOPHILA | NTPDASE1 |
| 2 | C, N (A, B) | MOLYBDATE ION | non-polymer | 159.9 | 2 | Chemie (MOO) | |||
| 3 | D, G, L, O, S... (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 6 | Chemie (MG) | |||
| 4 | E, P (A, B) | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 2 | Chemie (MES) | |||
| 5 | F (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 6 | H, R (A, B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 7 | I (A) | bis(mu2-oxo)-octaoxo-dimolybdenum (VI) | non-polymer | 351.9 | 1 | Chemie (M27) | |||
| 8 | J (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 9 | K, M (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 10 | Q (B) | ADENOSINE MONOPHOSPHATE | non-polymer | 347.2 | 1 | Chemie (AMP) | |||
| 11 | U, V (A, B) | water | water | 18.0 | 547 | Chemie (HOH) |
Sequence modifications
A, B: 35 - 393 (UniProt: Q5ZUA2)
| PDB | External Database | Details |
|---|---|---|
| Met 34 | - | expression tag |
| Leu 394 | - | expression tag |
| Glu 395 | - | expression tag |
| His 396 | - | expression tag |
| His 397 | - | expression tag |
| His 398 | - | expression tag |
| His 399 | - | expression tag |
| His 400 | - | expression tag |
| His 401 | - | expression tag |
| Asp 137 | Glu 137 | conflict |
| Val 149 | Ala 149 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 83761.2 | |
| Non-Polymers* | Number of molecules | 18 |
| Total formula weight | 1895.4 | |
| All* | Total formula weight | 85656.6 |
