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 (A) | Dual specificity protein kinase TTK | polymer | 342 | 39086.4 | 1 | UniProt (P33981) Pfam (PF00069) | Homo sapiens (human) | Phosphotyrosine picked threonine-protein kinase, PYT |
| 2 | B (A) | 7-chloro-N-(cyclopropylmethyl)quinazolin-4-amine | non-polymer | 233.7 | 1 | Chemie (CX4) | |||
| 3 | C (A) | 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL | non-polymer | 310.4 | 1 | Chemie (7PE) | |||
| 4 | D (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 5 | E, F, G (A) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 6 | H, I, J (A) | ISOPROPYL ALCOHOL | non-polymer | 60.1 | 3 | Chemie (IPA) | |||
| 7 | K (A) | 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 |
