5AQX
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | HEAT SHOCK 70 KDA PROTEIN 1A | polymer | 394 | 43195.9 | 1 | UniProt (P0DMV8) Pfam (PF00012) | HOMO SAPIENS (HUMAN) | HEAT SHOCK 70 KDA PROTEIN 1, HSP70-1, HSP70.1 |
| 2 | B (A) | (1R,2S,3R,5R)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol | non-polymer | 381.4 | 1 | Chemie (KC7) PubChem (122172808) | |||
| 3 | C, D (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) PubChem (679) | |||
| 4 | E (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) PubChem (312) | |||
| 5 | F (A) | water | water | 18.0 | 107 | Chemie (HOH) |
Sequence modifications
A: 1 - 380 (UniProt: P0DMV8)
| PDB | External Database | Details |
|---|---|---|
| Gly -4 | - | expression tag |
| Pro -3 | - | expression tag |
| Leu -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
| Ile 381 | - | expression tag |
| Lys 382 | - | expression tag |
| Ser 383 | - | expression tag |
| Thr 384 | - | expression tag |
| Arg 385 | - | expression tag |
| Ala 386 | - | expression tag |
| Ala 387 | - | expression tag |
| Ala 388 | - | expression tag |
| Ser 389 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 43195.9 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 573.1 | |
| All* | Total formula weight | 43769.0 |
