3WYY
CRYSTAL STRUCTURE OF HUMAN MPS1 CATALYTIC DOMAIN IN COMPLEX WITH (E)-3-(4-((6-(((3s,5s,7s)-adamantan-1-yl)amino)-4-amino-5-cyanopyridin-2-yl)amino)-2-(cyanomethoxy)phenyl)-N-(2-methoxyethyl)acrylamide
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Dual specificity protein kinase TTK | polymer | 321 | 36858.4 | 1 | UniProt (P33981) Pfam (PF00069) In PDB | Homo sapiens (human) | Phosphotyrosine picked threonine-protein kinase, PYT |
2 | A | (2E)-3-[4-({4-amino-5-cyano-6-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-ylamino]pyridin-2-yl}amino)-2-(cyanomethoxy)phenyl]-N-(2-methoxyethyl)prop-2-enamide | non-polymer | 541.6 | 1 | Chemie (O17) |
Sequence modifications
A: 516 - 820 (UniProt: P33981)
PDB | External Database | Details |
---|---|---|
Met 515 | - | expression tag |
Leu 821 | - | expression tag |
Val 822 | - | expression tag |
Pro 823 | - | expression tag |
Arg 824 | - | expression tag |
Gly 825 | - | expression tag |
Ser 826 | - | expression tag |
Ala 827 | - | expression tag |
Ala 828 | - | expression tag |
Gly 829 | - | expression tag |
His 830 | - | expression tag |
His 831 | - | expression tag |
His 832 | - | expression tag |
His 833 | - | expression tag |
His 834 | - | expression tag |
His 835 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 36858.4 | |
Non-Polymers* | Number of molecules | 1 |
Total formula weight | 541.6 | |
All* | Total formula weight | 37400.0 |