3PDF
Discovery of Novel Cyanamide-Based Inhibitors of Cathepsin C
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Dipeptidyl peptidase 1 | polymer | 441 | 49855.0 | 1 | UniProt (P53634) Pfam (PF08773) Pfam (PF00112) | Homo sapiens (human) | Cathepsin C |
| 2 | B (B) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G42666HT) | |||
| 3 | C (A) | 2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide | non-polymer | 425.1 | 1 | Chemie (LXV) | |||
| 4 | D, E (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
| 5 | F (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 6 | G (A) | water | water | 18.0 | 283 | Chemie (HOH) |
Sequence modifications
A: 1 - 439 (UniProt: P53634)
| PDB | External Database | Details |
|---|---|---|
| Thr 129 | Ile 153 | conflict |
| Phe 206 | His 230 | conflict |
| Glu 440 | - | expression tag |
| Asn 441 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 49855.0 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 424.4 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 903.0 | |
| All* | Total formula weight | 51182.4 |
