6QCB
Crystal structure of human cathepsin D in complex with macrocyclic inhibitor 9
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 | 97 | 10688.9 | 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 (D) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 1 | In PDB GlyTouCan (G15407YE) | |||
| 5 | E (A) | PHOSPHITE ION | non-polymer | 79.0 | 1 | Chemie (PO3) | |||
| 6 | F (A) | (3~{S},7~{S},8~{S})-7-oxidanyl-8-(phenylmethyl)-3-propan-2-yl-1,4,9-triazacyclohenicosane-2,5,10-trione | non-polymer | 487.7 | 1 | Chemie (HWE) | |||
| 7 | G (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 8 | H, I (B) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 9 | J, K (A, B) | water | water | 18.0 | 322 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 37059.3 | |
| Branched | Number of molecules | 2 |
| Total formula weight | 1010.9 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 836.9 | |
| All* | Total formula weight | 38907.1 |
