8S93
Crystal structure of the PH-TH/kinase complex of Bruton's tyrosine kinase
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Tyrosine-protein kinase BTK | polymer | 457 | 52320.7 | 1 | UniProt (P35991) Pfam (PF00169) Pfam (PF00779) Pfam (PF07714) In PDB | Mus musculus (house mouse) | Agammaglobulinemia tyrosine kinase,ATK,B-cell progenitor kinase,BPK,Bruton tyrosine kinase,Kinase EMB |
| 2 | A | 2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one | non-polymer | 664.8 | 1 | Chemie (9AJ) | |||
| 3 | A | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 4 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | water | water | 18.0 | 178 | Chemie (HOH) |
Sequence modifications
A: 1 - 171 (UniProt: P35991)
A: 396 - 659 (UniProt: P35991)
| PDB | External Database | Details |
|---|---|---|
| Ala 91 | Gln 91 | engineered mutation |
| Ala 92 | Ile 92 | engineered mutation |
| Ala 94 | Ile 94 | engineered mutation |
| Ala 95 | Ile 95 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Gly 172 | - | linker |
| Gly 173 | - | linker |
| Gly 174 | - | linker |
| Ser 175 | - | linker |
| Gly 378 | - | linker |
| Gly 379 | - | linker |
| Gly 380 | - | linker |
| Gly 381 | - | linker |
| Ser 382 | - | linker |
| Gly 383 | - | linker |
| Gly 384 | - | linker |
| Gly 385 | - | linker |
| Gly 386 | - | linker |
| Ser 387 | - | linker |
| Gly 388 | - | linker |
| Gly 389 | - | linker |
| Gly 390 | - | linker |
| Gly 391 | - | linker |
| Ser 392 | - | linker |
| Gly 393 | - | linker |
| Gly 394 | - | linker |
| Gly 395 | - | linker |
| Arg 430 | Lys 430 | engineered mutation |
| Met 542 | Leu 542 | engineered mutation |
| Thr 543 | Ser 543 | engineered mutation |
| Thr 555 | Val 555 | engineered mutation |
| Lys 562 | Arg 562 | engineered mutation |
| Ala 564 | Ser 564 | engineered mutation |
| Ser 565 | Pro 565 | engineered mutation |
| Pro 617 | Tyr 617 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 52320.7 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 822.3 | |
| All* | Total formula weight | 53143.0 |
