5CUU
Crystal structure of Trypanosoma cruzi Vacuolar Soluble Pyrophosphatases in complex with bisphosphonate inhibitor BPH-1260
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Acidocalcisomal pyrophosphatase | polymer | 414 | 47914.9 | 2 | UniProt (Q4JH30) Pfam (PF00719) In PDB | Trypanosoma cruzi | |
2 | A, B | D-MALATE | non-polymer | 134.1 | 3 | Chemie (MLT) | |||
3 | A, B | 1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1H-imidazol-3-ium | non-polymer | 329.2 | 2 | Chemie (4GA) | |||
4 | A, B | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
5 | water | water | 18.0 | 121 | Chemie (HOH) |
Sequence modifications
A, B: 32 - 410 (UniProt: Q4JH30)
PDB | External Database | Details |
---|---|---|
Met 1 | - | initiating methionine |
Ser 2 | - | expression tag |
Glu 3 | - | expression tag |
Asn 4 | - | expression tag |
Lys 5 | - | expression tag |
Ala 6 | - | expression tag |
Thr 7 | - | expression tag |
Leu 8 | - | expression tag |
Met 9 | - | expression tag |
Glu 10 | - | expression tag |
Gly 11 | - | expression tag |
Met 12 | - | expression tag |
Thr 13 | - | expression tag |
Glu 14 | - | expression tag |
Lys 15 | - | expression tag |
Thr 16 | - | expression tag |
Leu 17 | - | expression tag |
His 18 | - | expression tag |
Ser 19 | - | expression tag |
Pro 20 | - | expression tag |
Asn 21 | - | expression tag |
Thr 22 | - | expression tag |
Met 23 | - | expression tag |
Ala 24 | - | expression tag |
Glu 25 | - | expression tag |
Val 26 | - | expression tag |
Ala 27 | - | expression tag |
Ser 28 | - | expression tag |
Leu 29 | - | expression tag |
His 30 | - | expression tag |
Val 31 | - | expression tag |
Lys 411 | - | expression tag |
Glu 412 | - | expression tag |
Glu 413 | - | expression tag |
Val 414 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 95829.8 | |
Non-Polymers* | Number of molecules | 7 |
Total formula weight | 1109.3 | |
All* | Total formula weight | 96939.1 |