7JUT
Crystal Structure of KSR2:MEK1 in complex with ANP-PNP, and allosteric MEK inhibitor Selumetinib
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (B) | Kinase suppressor of Ras 2 | polymer | 342 | 39748.7 | 1 | UniProt (Q6VAB6) Pfam (PF07714) | Homo sapiens (Human) | hKSR2 |
| 2 | B (C) | Dual specificity mitogen-activated protein kinase kinase 1 | polymer | 384 | 43119.4 | 1 | UniProt (P29678) Pfam (PF00069) | Oryctolagus cuniculus (Rabbit) | MAPKK 1,ERK activator kinase 1,MAPK/ERK kinase 1,MEK 1 |
| 3 | C, D (B, C) | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | non-polymer | 506.2 | 2 | Chemie (ANP) | |||
| 4 | E (C) | 5-[(4-bromo-2-chlorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide | non-polymer | 457.7 | 1 | Chemie (3EW) | |||
| 5 | F (B) | water | water | 18.0 | 7 | Chemie (HOH) |
Sequence modifications
B: 634 - 950 (UniProt: Q6VAB6)
C: 35 - 393 (UniProt: P29678)
| PDB | External Database | Details |
|---|---|---|
| Met 609 | - | initiating methionine |
| Ser 610 | - | expression tag |
| Tyr 611 | - | expression tag |
| Tyr 612 | - | expression tag |
| His 613 | - | expression tag |
| His 614 | - | expression tag |
| His 615 | - | expression tag |
| His 616 | - | expression tag |
| His 617 | - | expression tag |
| His 618 | - | expression tag |
| Asp 619 | - | expression tag |
| Tyr 620 | - | expression tag |
| Asp 621 | - | expression tag |
| Ile 622 | - | expression tag |
| Pro 623 | - | expression tag |
| Thr 624 | - | expression tag |
| Thr 625 | - | expression tag |
| Glu 626 | - | expression tag |
| Asn 627 | - | expression tag |
| Leu 628 | - | expression tag |
| Tyr 629 | - | expression tag |
| Phe 630 | - | expression tag |
| Gln 631 | - | expression tag |
| Gly 632 | - | expression tag |
| Ala 633 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Met 10 | - | initiating methionine |
| Ser 11 | - | expression tag |
| Tyr 12 | - | expression tag |
| Tyr 13 | - | expression tag |
| His 14 | - | expression tag |
| His 15 | - | expression tag |
| His 16 | - | expression tag |
| His 17 | - | expression tag |
| His 18 | - | expression tag |
| His 19 | - | expression tag |
| Asp 20 | - | expression tag |
| Tyr 21 | - | expression tag |
| Asp 22 | - | expression tag |
| Ile 23 | - | expression tag |
| Pro 24 | - | expression tag |
| Thr 25 | - | expression tag |
| Thr 26 | - | expression tag |
| Glu 27 | - | expression tag |
| Asn 28 | - | expression tag |
| Leu 29 | - | expression tag |
| Tyr 30 | - | expression tag |
| Phe 31 | - | expression tag |
| Gln 32 | - | expression tag |
| Gly 33 | - | expression tag |
| Ala 34 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 82868.1 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 1470.1 | |
| All* | Total formula weight | 84338.2 |
