3H9F
Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrimido-diazepin ligand
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 | 313 | 36355.2 | 1 | UniProt (P33981) Pfam (PF00069) In PDB | Homo sapiens (human) | Phosphotyrosine picked threonine-protein kinase, PYT |
2 | A | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
3 | A | 9-cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin -6(7H)-one | non-polymer | 466.6 | 1 | Chemie (92M) | |||
4 | water | water | 18.0 | 11 | Chemie (HOH) |
Sequence modifications
A: 519 - 808 (UniProt: P33981)
PDB | External Database | Details |
---|---|---|
Met 496 | - | expression tag |
His 497 | - | expression tag |
His 498 | - | expression tag |
His 499 | - | expression tag |
His 500 | - | expression tag |
His 501 | - | expression tag |
His 502 | - | expression tag |
Ser 503 | - | expression tag |
Ser 504 | - | expression tag |
Gly 505 | - | expression tag |
Val 506 | - | expression tag |
Asp 507 | - | expression tag |
Leu 508 | - | expression tag |
Gly 509 | - | expression tag |
Thr 510 | - | expression tag |
Glu 511 | - | expression tag |
Asn 512 | - | expression tag |
Leu 513 | - | expression tag |
Tyr 514 | - | expression tag |
Phe 515 | - | expression tag |
Gln 516 | - | expression tag |
Ser 517 | - | expression tag |
Met 518 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 36355.2 | |
Non-Polymers* | Number of molecules | 3 |
Total formula weight | 515.2 | |
All* | Total formula weight | 36870.4 |