6SPT
High resolution crystal structure of N-terminal domain of PEX14 from Trypanosoma brucei in complex with the fist compound with sub-micromolar trypanocidal activity
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Peroxin 14 | polymer | 69 | 7883.1 | 1 | UniProt (Q8IEW2) Pfam (PF04695) UniProt (by SIFTS) (Q38CL4) | Trypanosoma brucei brucei | |
| 2 | B (A) | 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide | non-polymer | 591.7 | 1 | Chemie (FTW) PubChem (129896799) | |||
| 3 | C, D, E (A) | BETA-MERCAPTOETHANOL | non-polymer | 78.1 | 3 | Chemie (BME) | |||
| 4 | F, G, H, I (A) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) PubChem (312) | |||
| 5 | J (A) | water | water | 18.0 | 136 | Chemie (HOH) |
Sequence modifications
A: 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 | 1 |
| Total formula weight | 7883.1 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 968.0 | |
| All* | Total formula weight | 8851.0 |
