9DU1
Co-crystal structure of the ternary complex of human FKBP12, BRD9 bromo domain and Compound 1
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Peptidyl-prolyl cis-trans isomerase FKBP1A | polymer | 109 | 12054.8 | 4 | UniProt (P62942) Pfam (PF00254) | Homo sapiens (human) | PPIase FKBP1A,12 kDa FK506-binding protein,12 kDa FKBP,FKBP-12,Calstabin-1,FK506-binding protein 1A,FKBP-1A,Immunophilin FKBP12,Rotamase |
| 2 | E, F, G, H (E, F, G, H) | Bromodomain-containing protein 9 | polymer | 116 | 13323.5 | 4 | UniProt (Q9H8M2) Pfam (PF00439) | Homo sapiens (human) | Rhabdomyosarcoma antigen MU-RMS-40.8 |
| 3 | I, J, L, M (B, D, G, H) | 4-[4-{cyclopropyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}-6-({1-[(2R)-2-{[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]amino}-4-(4-methoxyphenyl)butanoyl]piperidin-4-yl}amino)-1,3,5-triazin-2-yl]-N-ethylpiperazine-1-carboxamide | non-polymer | 912.1 | 4 | Chemie (A1BB8) PubChem (177692589) | |||
| 4 | K (F) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) PubChem (753) | |||
| 5 | N, O, P, Q, R... (A, B, C, D, E...) | water | water | 18.0 | 791 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 0 - 107 (UniProt: P62942)
E, F, G, H: 130 - 240 (UniProt: Q9H8M2)
| PDB | External Database | Details |
|---|---|---|
| Ser -1 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Gly 125 | - | expression tag |
| Pro 126 | - | expression tag |
| Leu 127 | - | expression tag |
| Gly 128 | - | expression tag |
| Ser 129 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 8 |
| Total formula weight | 101512.9 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 3740.6 | |
| All* | Total formula weight | 105253.6 |
