6QBG
Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 14
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 | polymer | 98 | 10776.0 | 1 | UniProt (P07339) | Homo sapiens (Human) | |
| 2 | B (B) | Cathepsin D | polymer | 241 | 26370.3 | 1 | UniProt (P07339) Pfam (PF00026) | Homo sapiens (Human) | |
| 3 | C (C) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G42666HT) | |||
| 4 | D, H (A, B) | (3~{S},7~{S},8~{S})-8-(naphthalen-2-ylmethyl)-7-oxidanyl-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione | non-polymer | 537.7 | 2 | Chemie (HVT) | |||
| 5 | E, F (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 6 | G (B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 7 | I (B) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 8 | J, K (A, B) | water | water | 18.0 | 250 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 37146.4 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 424.4 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1549.0 | |
| All* | Total formula weight | 39119.8 |
