5R4Y
XChem fragment screen -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 in complex with N13612a
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | ATPase family AAA domain-containing protein 2 | polymer | 130 | 15512.6 | 1 | UniProt (Q6PL18) Pfam (PF00439) | Homo sapiens (Human) | AAA nuclear coregulator cancer-associated protein,ANCCA |
| 2 | B (A) | cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone | non-polymer | 248.3 | 1 | Chemie (GX4) | |||
| 3 | C, D (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 4 | E, F, G, H (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
| 5 | I (A) | water | water | 18.0 | 221 | Chemie (HOH) |
Sequence modifications
A: 981 - 1108 (UniProt: Q6PL18)
| PDB | External Database | Details |
|---|---|---|
| Ser 979 | - | expression tag |
| Met 980 | - | expression tag |
| Arg 1022 | Val 1022 | conflict |
| Glu 1027 | Gln 1027 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 15512.6 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 688.7 | |
| All* | Total formula weight | 16201.3 |
