4BVP
Legionella pneumophila NTPDase1 crystal form II (closed) in complex with heptamolybdate and octamolybdate
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I | polymer | 368 | 41880.6 | 2 | UniProt (Q5ZUA2) Pfam (PF01150) In PDB | LEGIONELLA PNEUMOPHILA | NTPDASE1 |
2 | A | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
3 | A, B | MOLYBDATE ION | non-polymer | 159.9 | 2 | Chemie (MOO) | |||
4 | A, B | MAGNESIUM ION | non-polymer | 24.3 | 5 | Chemie (MG) | |||
5 | A, B | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 2 | Chemie (MES) | |||
6 | B, A | GLYCEROL | non-polymer | 92.1 | 7 | Chemie (GOL) | |||
7 | B, A | bis(mu2-oxo)-octaoxo-dimolybdenum (VI) | non-polymer | 351.9 | 4 | Chemie (M27) | |||
8 | B, A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
9 | B, A | TETRAKIS-(MU-OXO)-DECA-OXO-TRIMOLYBDENUM | non-polymer | 511.8 | 2 | Chemie (6LL) | |||
10 | B, A | bis(mu4-oxo)-bis(mu3-oxo)-octakis(mu2-oxo)-dodecaoxo-heptamolybdenum (VI) | non-polymer | 1055.6 | 2 | Chemie (MO7) | |||
11 | A, B | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
12 | A, B | bis(mu4-oxo)-tetrakis(mu3-oxo)-hexakis(mu2-oxo)-hexadecaoxo-octamolybdenum (VI) | non-polymer | 1215.5 | 2 | Chemie (8M0) | |||
13 | water | water | 18.0 | 451 | 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 | 33 |
Total formula weight | 8792.0 | |
All* | Total formula weight | 92553.1 |