7JV0
Crystal Structure of KSR1:MEK1 in complex with AMP-PNP, and allosteric MEK inhibitor PD0325901
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Kinase suppressor of Ras 1 | polymer | 334 | 38597.1 | 1 | UniProt (Q8IVT5) Pfam (PF07714) | Homo sapiens (Human) | |
| 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, E (A, C) | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | non-polymer | 506.2 | 2 | Chemie (ANP) | |||
| 4 | D (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 5 | F (C) | N-{[(2R)-2,3-dihydroxypropyl]oxy}-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide | non-polymer | 482.2 | 1 | Chemie (4BM) |
Sequence modifications
A: 591 - 899 (UniProt: Q8IVT5)
C: 35 - 393 (UniProt: P29678)
| PDB | External Database | Details |
|---|---|---|
| Met 566 | - | initiating methionine |
| Ser 567 | - | expression tag |
| Tyr 568 | - | expression tag |
| Tyr 569 | - | expression tag |
| His 570 | - | expression tag |
| His 571 | - | expression tag |
| His 572 | - | expression tag |
| His 573 | - | expression tag |
| His 574 | - | expression tag |
| His 575 | - | expression tag |
| Asp 576 | - | expression tag |
| Tyr 577 | - | expression tag |
| Asp 578 | - | expression tag |
| Ile 579 | - | expression tag |
| Pro 580 | - | expression tag |
| Thr 581 | - | expression tag |
| Thr 582 | - | expression tag |
| Glu 583 | - | expression tag |
| Asn 584 | - | expression tag |
| Leu 585 | - | expression tag |
| Tyr 586 | - | expression tag |
| Phe 587 | - | expression tag |
| Gln 588 | - | expression tag |
| Gly 589 | - | expression tag |
| Ala 590 | - | expression tag |
| Glu 898 | Asp 898 | conflict |
| 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 | 81716.5 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1518.9 | |
| All* | Total formula weight | 83235.4 |
