4OC6
Structure of Cathepsin D with inhibitor 2-bromo-N-[(2S,3S)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Cathepsin D light chain | polymer | 103 | 11273.6 | 1 | UniProt (P07339) | Homo sapiens (human) | |
| 2 | B (B) | Cathepsin D heavy chain | polymer | 243 | 26540.6 | 1 | UniProt (P07339) Pfam (PF00026) | Homo sapiens (human) | |
| 3 | C (C) | alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 748.7 | 1 | In PDB GlyTouCan (G22573RC) | |||
| 4 | D (B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 5 | E (B) | 2-bromo-N-[(2S,3S)-4-{[2-(2,4-dichlorophenyl)ethyl][3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-3-hydroxy-1-(3-phenoxyphenyl)butan-2-yl]-4,5-dimethoxybenzamide | non-polymer | 889.6 | 1 | Chemie (2S1) | |||
| 6 | F (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 7 | G, H (A, B) | water | water | 18.0 | 10 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 37814.1 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 748.7 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1202.9 | |
| All* | Total formula weight | 39765.7 |
