7T0U
Crystal structure of the BCL6 BTB domain in complex with OICR-12387
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) | Isoform 2 of B-cell lymphoma 6 protein | polymer | 127 | 14559.8 | 4 | UniProt (P41182) Pfam (PF00651) | Homo sapiens (human) | BCL-6,B-cell lymphoma 5 protein,BCL-5,Protein LAZ-3,Zinc finger and BTB domain-containing protein 27,Zinc finger protein 51 |
| 2 | E, O (A, D) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 3 | F, K (A, C) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) PubChem (753) | |||
| 4 | G, J, P (A, B, D) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) PubChem (312) | |||
| 5 | H, I, L, M (A, B, C, D) | 3-chloro-5-{7-[2-({5-chloro-2-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-2-(trifluoromethyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide | non-polymer | 709.5 | 4 | Chemie (E3I) PubChem (139405574) | |||
| 6 | N (D) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) PubChem (679) | |||
| 7 | Q, R, S, T (A, B, C, D) | water | water | 18.0 | 349 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 5 - 129 (UniProt: P41182)
| PDB | External Database | Details |
|---|---|---|
| Gly 3 | - | expression tag |
| Ser 4 | - | expression tag |
| Gln 8 | Cys 8 | engineered mutation |
| Arg 67 | Cys 67 | engineered mutation |
| Asn 84 | Cys 84 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 58239.3 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 3398.8 | |
| All* | Total formula weight | 61638.1 |
