8RIB
N-terminal domain of Trypanosoma brucei PEX14 in complex with a pyrazolo-pyrazolo[4,3-c]pyridin-3-yl compound showing a novel binding pose
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) | Peroxisomal membrane protein PEX14 | polymer | 69 | 7959.2 | 2 | UniProt (Q8IEW2) Pfam (PF04695) | Trypanosoma brucei brucei | Peroxin-14 |
| 2 | C, L (A, B) | 1-(2-azanylethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-~{N}-[(4-methylsulfanylphenyl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide | non-polymer | 515.7 | 2 | Chemie (OJN) | |||
| 3 | D, E, F, G, H... (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 8 | Chemie (EDO) | |||
| 4 | J, O (A, B) | MALONATE ION | non-polymer | 102.0 | 2 | Chemie (MLI) | |||
| 5 | K, P, Q, R, S (A, B) | SODIUM ION | non-polymer | 23.0 | 5 | Chemie (NA) | |||
| 6 | T (B) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 7 | U, V (A, B) | water | water | 18.0 | 172 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 66 (UniProt: Q8IEW2)
| PDB | External Database | Details |
|---|---|---|
| Gly -2 | - | expression tag |
| Ala -1 | - | expression tag |
| Met 0 | - | expression tag |
| Trp 1 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 15918.4 | |
| Non-Polymers* | Number of molecules | 18 |
| Total formula weight | 1882.4 | |
| All* | Total formula weight | 17800.8 |
