5AQW
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) | |
| 2 | B (A) | (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol | non-polymer | 275.3 | 1 | Chemie (5P7) PubChem (122172806) | |||
| 3 | C (A) | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) PubChem (1061) | |||
| 4 | D (A) | (2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL | non-polymer | 154.3 | 1 | Chemie (DTV) PubChem (19001) PubChem (89352733) PubChem (439196) PubChem (439352) PubChem (446094) PubChem (448795) | |||
| 5 | E, F, G, H, I... (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 12 | Chemie (EDO) | |||
| 6 | Q (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) PubChem (888) | |||
| 7 | R (A) | water | water | 18.0 | 423 | 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 | 16 |
| Total formula weight | 1293.6 | |
| All* | Total formula weight | 44489.5 |
