8C7Y
Crystal structure of BRAF V600E in complex with a hybrid compound 6
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Serine/threonine-protein kinase B-raf | polymer | 282 | 32123.8 | 2 | UniProt (P15056) Pfam (PF07714) | Homo sapiens (human) | Proto-oncogene B-Raf,p94,v-Raf murine sarcoma viral oncogene homolog B1 |
| 2 | C, D, E, F, G... (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 19 | Chemie (EDO) | |||
| 3 | T (A) | NITRATE ION | non-polymer | 62.0 | 1 | Chemie (NO3) | |||
| 4 | U, X (A, B) | ~{N}-[3-[(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-bis(fluoranyl)phenyl]-3-(2-cyanopropan-2-yl)benzamide | non-polymer | 478.9 | 2 | Chemie (TXV) | |||
| 5 | Y, Z (A, B) | water | water | 18.0 | 490 | Chemie (HOH) |
Sequence modifications
A, B: 444 - 721 (UniProt: P15056)
| PDB | External Database | Details |
|---|---|---|
| Ser 442 | - | expression tag |
| Met 443 | - | expression tag |
| Ala 543 | Ile 543 | conflict |
| Ser 544 | Ile 544 | conflict |
| Lys 551 | Ile 551 | conflict |
| Arg 562 | Gln 562 | conflict |
| Asn 588 | Leu 588 | conflict |
| Glu 600 | Val 600 | engineered mutation |
| Ser 630 | Lys 630 | conflict |
| Glu 667 | Phe 667 | conflict |
| Ser 673 | Tyr 673 | conflict |
| Arg 688 | Ala 688 | conflict |
| Ser 706 | Leu 706 | conflict |
| Arg 709 | Gln 709 | conflict |
| Glu 713 | Ser 713 | conflict |
| Glu 716 | Leu 716 | conflict |
| Glu 720 | Ser 720 | conflict |
| Ser 722 | - | expression tag |
| Gly 723 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 64247.6 | |
| Non-Polymers* | Number of molecules | 22 |
| Total formula weight | 2199.1 | |
| All* | Total formula weight | 66446.6 |
