6NSQ
Crystal structure of BRAF kinase domain bound to the inhibitor 2l
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | B, A | Serine/threonine-protein kinase B-raf | polymer | 284 | 32249.9 | 2 | UniProt (P15056) Pfam (PF07714) In PDB | Homo sapiens (Human) | Proto-oncogene B-Raf,p94,v-Raf murine sarcoma viral oncogene homolog B1 |
2 | B, A | 5-[(4-amino-1-ethyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-N-(4-chlorophenyl)-6-methylisoquinolin-1-amine | non-polymer | 453.9 | 2 | Chemie (KZP) | |||
3 | water | water | 18.0 | 6 | Chemie (HOH) |
Sequence modifications
B, A: 444 - 723 (UniProt: P15056)
PDB | External Database | Details |
---|---|---|
Gly 440 | - | expression tag |
Ala 441 | - | expression tag |
Met 442 | - | expression tag |
Asp 443 | - | expression tag |
Ala 543 | Ile 543 | engineered mutation |
Ser 544 | Ile 544 | engineered mutation |
Lys 551 | Ile 551 | engineered mutation |
Arg 562 | Gln 562 | engineered mutation |
Asn 588 | Leu 588 | engineered mutation |
Ser 630 | Lys 630 | engineered mutation |
Glu 667 | Phe 667 | engineered mutation |
Ser 673 | Tyr 673 | engineered mutation |
Arg 688 | Ala 688 | engineered mutation |
Ser 706 | Leu 706 | engineered mutation |
Arg 709 | Gln 709 | engineered mutation |
Glu 713 | Ser 713 | engineered mutation |
Glu 716 | Leu 716 | engineered mutation |
Glu 720 | Ser 720 | engineered mutation |
Ser 722 | Pro 722 | engineered mutation |
Gly 723 | Lys 723 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 64499.9 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 907.9 | |
All* | Total formula weight | 65407.7 |