6QXA
Structure of membrane bound pyrophosphatase from Thermotoga maritima in complex with imidodiphosphate and N-[(2-amino-6-benzothiazolyl)methyl]-1H-indole-2-carboxamide (ATC)
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 | K(+)-stimulated pyrophosphate-energized sodium pump | polymer | 735 | 78217.1 | 4 | UniProt (Q9S5X0) Pfam (PF03030) In PDB | Thermotoga maritima MSB8 | Membrane-bound sodium-translocating pyrophosphatase,Pyrophosphate-energized inorganic pyrophosphatase,Na(+)-PPase,Tm-PPase |
2 | C, A, D, B | MAGNESIUM ION | non-polymer | 24.3 | 20 | Chemie (MG) | |||
3 | C, A, D, B | IMIDODIPHOSPHORIC ACID | non-polymer | 177.0 | 4 | Chemie (2PN) | |||
4 | A, D, B | SODIUM ION | non-polymer | 23.0 | 3 | Chemie (NA) | |||
5 | A, D, B | POTASSIUM ION | non-polymer | 39.1 | 3 | Chemie (K) | |||
6 | C, A | ~{N}-[(2-azanyl-3~{H}-1,3-benzothiazol-6-yl)methyl]-1~{H}-indole-2-carboxamide | non-polymer | 324.4 | 3 | Chemie (GQB) | |||
7 | C | (4S,5S)-1,2-DITHIANE-4,5-DIOL | non-polymer | 152.2 | 1 | Chemie (D1D) | |||
8 | water | water | 18.0 | 8 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 2 - 726 (UniProt: Q9S5X0)
PDB | External Database | Details |
---|---|---|
Met -8 | - | initiating methionine |
Arg -7 | - | expression tag |
Gly -6 | - | expression tag |
Ser -5 | - | expression tag |
His -4 | - | expression tag |
His -3 | - | expression tag |
His -2 | - | expression tag |
His -1 | - | expression tag |
His 0 | - | expression tag |
His 1 | - | expression tag |
Leu 353 | Val 353 | conflict |
Gly 395 | Ser 395 | conflict |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 312868.6 | |
Non-Polymers* | Number of molecules | 34 |
Total formula weight | 2505.8 | |
All* | Total formula weight | 315374.3 |