5AQV
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 COGNATE 71 KDA PROTEIN | polymer | 386 | 42407.0 | 1 | UniProt (P11142) Pfam (PF00012) | HOMO SAPIENS (HUMAN) | HEAT SHOCK 70 KDA PROTEIN 8, LIPOPOLYSACCHARIDE-ASSOCIATED PROTEIN 1, LAP-1, LPS-ASSOCIATED PROTEIN 1 |
| 2 | B (B) | BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1 | polymer | 118 | 13511.6 | 1 | UniProt (Q99933) Pfam (PF02179) | HOMO SAPIENS (HUMAN) | BAG-1, BCL-2-ASSOCIATED ATHANOGENE 1 |
| 3 | C (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) | |||
| 4 | D (A) | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 122.1 | 1 | Chemie (TRS) | |||
| 5 | E, F, G, H, I... (A, B) | GLYCEROL | non-polymer | 92.1 | 7 | Chemie (GOL) | |||
| 6 | J, K, L (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 3 | Chemie (DMS) | |||
| 7 | O, P (A, B) | water | water | 18.0 | 269 | Chemie (HOH) |
Sequence modifications
A: 1 - 381 (UniProt: P11142)
B: 151 - 263 (UniProt: Q99933)
| PDB | External Database | Details |
|---|---|---|
| Gly -4 | - | expression tag |
| Pro -3 | - | expression tag |
| Leu -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Gly 146 | - | expression tag |
| Pro 147 | - | expression tag |
| Leu 148 | - | expression tag |
| Gly 149 | - | expression tag |
| Ser 150 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 55918.6 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1382.6 | |
| All* | Total formula weight | 57301.2 |
