6HRT
CRYSTAL STRUCTURE OF BTK KINASE DOMAIN COMPLEXED WITH 12-(6-tert-butyl-8-fluoro-1-oxo-phthalazin-2-yl)-9-hydroxy-6-methyl-4-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,11,13-pentaen-5-one
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 | 283 | 32521.1 | 1 | UniProt (Q06187) Pfam (PF07714) In PDB | Homo sapiens (Human) | Agammaglobulinemia tyrosine kinase,ATK,B-cell progenitor kinase,BPK,Bruton tyrosine kinase |
2 | A | (9~{S})-12-(6-~{tert}-butyl-8-fluoranyl-1-oxidanylidene-phthalazin-2-yl)-6-methyl-4-[(5-morpholin-4-ylcarbonylpyridin-2-yl)amino]-9-oxidanyl-6-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(15),2(7),3,11,13-pentaen-5-one | non-polymer | 664.7 | 1 | Chemie (GMW) | |||
3 | water | water | 18.0 | 385 | Chemie (HOH) |
Sequence modifications
A: 378 - 659 (UniProt: Q06187)
PDB | External Database | Details |
---|---|---|
Gly 377 | - | expression tag |
Ala 489 | Met 523 | engineered mutation |
Ala 492 | Arg 526 | engineered mutation |
Ala 624 | Glu 658 | engineered mutation |
Ala 625 | Lys 659 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 32521.1 | |
Non-Polymers* | Number of molecules | 1 |
Total formula weight | 664.7 | |
All* | Total formula weight | 33185.9 |