4BRQ
LEGIONELLA PNEUMOPHILA NTPDASE1 CRYSTAL FORM II, CLOSED, IN COMPLEX WITH TWO PHOSPHATES BOUND TO ACTIVE SITE MG AND PRODUCT 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, J (A, B) | ADENOSINE MONOPHOSPHATE | non-polymer | 347.2 | 2 | Chemie (AMP) PubChem (16397049) PubChem (16760266) PubChem (40459109) PubChem (46875232) PubChem (40467049) PubChem (40469468) PubChem (44348067) PubChem (45358029) PubChem (177678969) PubChem (6083) PubChem (46874558) PubChem (1549371) PubChem (92144436) PubChem (57358045) PubChem (12358354) PubChem (57879893) PubChem (57879902) PubChem (224) PubChem (122197642) PubChem (34768) PubChem (83862) PubChem (446048) PubChem (515384) PubChem (638042) PubChem (5316444) PubChem (5742864) PubChem (12163610) PubChem (12358355) PubChem (162290139) PubChem (162946266) PubChem (171699505) | |||
| 3 | D, K (A, B) | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 2 | Chemie (MES) PubChem (4478249) | |||
| 4 | E, F, L, M (A, B) | PHOSPHATE ION | non-polymer | 95.0 | 4 | Chemie (PO4) PubChem (1061) | |||
| 5 | G, O (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) PubChem (312) | |||
| 6 | H, I, N (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 3 | Chemie (MG) PubChem (888) | |||
| 7 | P, Q (A, B) | water | water | 18.0 | 624 | Chemie (HOH) |
Sequence modifications
A, B: 35 - 393 (UniProt: Q5ZUA2)
| PDB | External Database | Details |
|---|---|---|
| Met 34 | - | expression tag |
| Asp 137 | Glu 137 | conflict |
| Val 149 | Ala 149 | conflict |
| 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 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 83761.2 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 1608.6 | |
| All* | Total formula weight | 85369.8 |
