5MRB
Crystal structure of human Mps1 (TTK) in complex with Cpd-5
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 | 313 | 36175.3 | 1 | UniProt (P33981) Pfam (PF00069) | Homo sapiens (Human) | Phosphotyrosine picked threonine-protein kinase,PYT |
| 2 | B (A) | ~{N}-(2,6-diethylphenyl)-8-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1-methyl-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamide | non-polymer | 580.7 | 1 | Chemie (C5N) | |||
| 3 | C, D, E, F, G... (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 12 | Chemie (EDO) | |||
| 4 | O (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 5 | P (A) | water | water | 18.0 | 70 | Chemie (HOH) |
Sequence modifications
A: 519 - 808 (UniProt: P33981)
| PDB | External Database | Details |
|---|---|---|
| Met 496 | - | initiating methionine |
| 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 |
| Tyr 604 | Cys 604 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 36175.3 | |
| Non-Polymers* | Number of molecules | 14 |
| Total formula weight | 1361.0 | |
| All* | Total formula weight | 37536.3 |
