3HMP
Crystal structure of human Mps1 catalytic domain in complex with a quinazolin ligand Compound 4
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 | 342 | 39086.4 | 1 | UniProt (P33981) Pfam (PF00069) In PDB | Homo sapiens (human) | Phosphotyrosine picked threonine-protein kinase, PYT |
2 | A | 7-chloro-N-(cyclopropylmethyl)quinazolin-4-amine | non-polymer | 233.7 | 1 | Chemie (CX4) | |||
3 | A | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL | non-polymer | 310.4 | 1 | Chemie (7PE) | |||
4 | A | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
5 | A | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
6 | A | ISOPROPYL ALCOHOL | non-polymer | 60.1 | 3 | Chemie (IPA) | |||
7 | water | water | 18.0 | 85 | Chemie (HOH) |
Sequence modifications
A: 510 - 809 (UniProt: P33981)
PDB | External Database | Details |
---|---|---|
His 468 | - | expression tag |
His 469 | - | expression tag |
His 470 | - | expression tag |
His 471 | - | expression tag |
His 472 | - | expression tag |
His 473 | - | expression tag |
Ser 474 | - | expression tag |
Ser 475 | - | expression tag |
Gly 476 | - | expression tag |
Leu 477 | - | expression tag |
Val 478 | - | expression tag |
Pro 479 | - | expression tag |
Arg 480 | - | expression tag |
Gly 481 | - | expression tag |
Ser 482 | - | expression tag |
Gly 483 | - | expression tag |
Met 484 | - | expression tag |
Lys 485 | - | expression tag |
Glu 486 | - | expression tag |
Thr 487 | - | expression tag |
Ala 488 | - | expression tag |
Ala 489 | - | expression tag |
Ala 490 | - | expression tag |
Lys 491 | - | expression tag |
Phe 492 | - | expression tag |
Glu 493 | - | expression tag |
Arg 494 | - | expression tag |
Gln 495 | - | expression tag |
His 496 | - | expression tag |
Met 497 | - | expression tag |
Asp 498 | - | expression tag |
Ser 499 | - | expression tag |
Pro 500 | - | expression tag |
Asp 501 | - | expression tag |
Leu 502 | - | expression tag |
Gly 503 | - | expression tag |
Thr 504 | - | expression tag |
Asp 505 | - | expression tag |
Asp 506 | - | expression tag |
Asp 507 | - | expression tag |
Asp 508 | - | expression tag |
Lys 509 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 39086.4 | |
Non-Polymers* | Number of molecules | 9 |
Total formula weight | 1106.8 | |
All* | Total formula weight | 40193.2 |