1FQ4
CRYSTAL STRUCTURE OF A COMPLEX BETWEEN HYDROXYETHYLENE INHIBITOR CP-108,420 AND YEAST ASPARTIC PROTEINASE A
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | SACCHAROPEPSIN | polymer | 329 | 35774.6 | 1 | UniProt (P07267) Pfam (PF00026) | Saccharomyces cerevisiae (baker's yeast) | ASPARTATE PROTEASE, PROTEINASE A |
| 2 | B (B) | beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 910.8 | 1 | In PDB GlyTouCan (G57658LA) | |||
| 3 | C (A) | N-[(2R)-1-{[(2S,3R,5R)-1-cyclohexyl-3-hydroxy-5-{[2-(morpholin-4-yl)ethyl]carbamoyl}oct-7-yn-2-yl]amino}-3-(methylsulfa nyl)-1-oxopropan-2-yl]-1H-benzimidazole-2-carboxamide | non-polymer | 640.8 | 1 | BIRD (PRD_000563) Chemie (2Y2) | |||
| 4 | D (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 5 | E (A) | water | water | 18.0 | 101 | Chemie (HOH) |
Sequence modifications
A: 0 - 326 (UniProt: P07267)
| PDB | External Database | Details |
|---|---|---|
| Ile 315 | Leu 394 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 35774.6 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 910.8 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 862.0 | |
| All* | Total formula weight | 37547.4 |
