5JSM
BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-3-VEM
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 (A, B, C, D) | Serine/threonine-protein kinase B-raf | polymer | 280 | 31879.5 | 4 | UniProt (P15056) Pfam (PF07714) | Homo sapiens (Human) | Proto-oncogene B-Raf,p94,v-Raf murine sarcoma viral oncogene homolog B1 |
| 2 | E, F, G, K, S... (A, B, C, D) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 6 | Chemie (DMS) | |||
| 3 | H, P (A, B) | BENZAMIDINE | non-polymer | 120.2 | 2 | Chemie (BEN) | |||
| 4 | I, M, N (A, B) | ETHANOL | non-polymer | 46.1 | 3 | Chemie (EOH) | |||
| 5 | J, R (B, C) | N,N'-{ethane-1,2-diylbis[oxyethane-2,1-diyloxy-4,1-phenylene-1H-pyrrolo[2,3-b]pyridine-5,3-diylcarbonyl(2,4-difluoro-3,1-phenylene)]}di(propane-1-sulfonamide) | non-polymer | 1057.1 | 2 | Chemie (6NB) | |||
| 6 | L, Q, U (B, D) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 7 | O (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 8 | V, W, X, Y (A, B, C, D) | water | water | 18.0 | 291 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 448 - 723 (UniProt: P15056)
| PDB | External Database | Details |
|---|---|---|
| Gly 444 | - | expression tag |
| Ser 445 | - | expression tag |
| Glu 446 | - | expression tag |
| Phe 447 | - | 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 |
| Glu 600 | Val 600 | 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 | 4 |
| Total formula weight | 127518.0 | |
| Non-Polymers* | Number of molecules | 17 |
| Total formula weight | 3159.9 | |
| All* | Total formula weight | 130677.9 |
