6P4E
Leishmania mexicana CPB in complex with an aza-nitrile inhibitor
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) | Cysteine proteinase B | polymer | 217 | 23210.0 | 2 | UniProt (P36400) Pfam (PF00112) | Leishmania mexicana | |
| 2 | C, I (A, B) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 3 | D, E, J, K, L... (A, B) | ACETATE ION | non-polymer | 59.0 | 6 | Chemie (ACT) | |||
| 4 | F, G (A) | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 2 | Chemie (MPD) | |||
| 5 | H, O (A, B) | 3-tert-butyl-N-[(2S)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1H-pyrazole-5-carboxamide (non-preferred name) | non-polymer | 362.5 | 2 | Chemie (GES) | |||
| 6 | N (B) | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 122.1 | 1 | Chemie (TRS) | |||
| 7 | P, Q (A, B) | water | water | 18.0 | 494 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 217 (UniProt: P36400)
| PDB | External Database | Details |
|---|---|---|
| Asp 61 | Asn 185 | engineered mutation |
| Asn 62 | Asp 186 | engineered mutation |
| Ser 65 | Asp 189 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 46420.0 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 1483.7 | |
| All* | Total formula weight | 47903.7 |
