7JUZ
Crystal Structure of KSR1:MEK1 in complex with AMP-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 | Kinase suppressor of Ras 1 | polymer | 334 | 38597.1 | 1 | UniProt (Q8IVT5) Pfam (PF07714) In PDB | Homo sapiens (Human) | |
2 | C | Dual specificity mitogen-activated protein kinase kinase 1 | polymer | 384 | 43119.4 | 1 | UniProt (P29678) Pfam (PF00069) In PDB | Oryctolagus cuniculus (Rabbit) | MAPKK 1,ERK activator kinase 1,MAPK/ERK kinase 1,MEK 1 |
3 | A, C | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | non-polymer | 506.2 | 2 | Chemie (ANP) | |||
4 | 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) |
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 | 3 |
Total formula weight | 1470.1 | |
All* | Total formula weight | 83186.6 |