5UX4
Crystal Structure of Rat Cathepsin D with (5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro- 7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3- c]pyridine-5,4'-[1,3]oxazol]-2'-amine
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Cathepsin D | polymer | 420 | 46825.5 | 2 | UniProt (P24268) Pfam (PF07966) Pfam (PF00026) | Rattus norvegicus (Rat) | |
| 2 | 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) | |||
| 3 | D, F, G (A, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 3 | Chemie (NAG) | |||
| 4 | E, H (A, B) | (5S)-3-(5,6-dihydro-2H-pyran-3-yl)-1-fluoro-7-(2-fluoropyridin-3-yl)spiro[chromeno[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine | non-polymer | 448.4 | 2 | Chemie (3UT) | |||
| 5 | I, J (A, B) | water | water | 18.0 | 25 | Chemie (HOH) |
Sequence modifications
A, B: -43 - 343 (UniProt: P24268)
| PDB | External Database | Details |
|---|---|---|
| Met -62 | - | expression tag |
| Glu -61 | - | expression tag |
| Trp -60 | - | expression tag |
| Ser -59 | - | expression tag |
| Trp -58 | - | expression tag |
| Val -57 | - | expression tag |
| Phe -56 | - | expression tag |
| Leu -55 | - | expression tag |
| Phe -54 | - | expression tag |
| Phe -53 | - | expression tag |
| Leu -52 | - | expression tag |
| Ser -51 | - | expression tag |
| Val -50 | - | expression tag |
| Thr -49 | - | expression tag |
| Thr -48 | - | expression tag |
| Gly -47 | - | expression tag |
| Val -46 | - | expression tag |
| His -45 | - | expression tag |
| Ser -44 | - | expression tag |
| Asn 141 | Lys 205 | conflict |
| Asp 344 | - | expression tag |
| Glu 345 | - | expression tag |
| Val 346 | - | expression tag |
| Asp 347 | - | expression tag |
| His 348 | - | expression tag |
| His 349 | - | expression tag |
| His 350 | - | expression tag |
| His 351 | - | expression tag |
| His 352 | - | expression tag |
| His 353 | - | expression tag |
| His 354 | - | expression tag |
| His 355 | - | expression tag |
| His 356 | - | expression tag |
| His 357 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 93651.0 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 424.4 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1560.5 | |
| All* | Total formula weight | 95635.9 |
