7K0V
Crystal structure of bRaf in complex with inhibitor GNE-0749
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 | Non-specific serine/threonine protein kinase | polymer | 288 | 32832.6 | 4 | UniProt (H7C560) Pfam (PF07714) UniProt (by SIFTS) (P15056) In PDB | Homo sapiens (Human) | |
| 2 | A, B, C, D | N-(3,3-dimethylbutyl)-N'-{2-fluoro-5-[(5-fluoro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)amino]-4-methylphenyl}urea | non-polymer | 443.5 | 4 | Chemie (VQP) | |||
| 3 | A, B | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 4 | water | water | 18.0 | 434 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 444 - 723 (UniProt: H7C560)
| PDB | External Database | Details |
|---|---|---|
| Met 436 | - | initiating methionine |
| His 437 | - | expression tag |
| His 438 | - | expression tag |
| His 439 | - | expression tag |
| His 440 | - | expression tag |
| His 441 | - | expression tag |
| Gly 442 | - | expression tag |
| Ser 443 | - | expression tag |
| Lys 539 | His 539 | conflict |
| 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 |
| 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 | Pro 722 | conflict |
| Gly 723 | Lys 723 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 131330.5 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1844.9 | |
| All* | Total formula weight | 133175.4 |
