7UP6
Crystal structure of C-terminal domain of MSK1 in complex with in covalently bound literature RSK2 inhibitor pyrrolopyrimidine cyanoacrylamide compound 25 (co-crystal)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Ribosomal protein S6 kinase alpha-5 | polymer | 306 | 34668.8 | 1 | UniProt (O75582) Pfam (PF00069) | Homo sapiens (human) | S6K-alpha-5,90 kDa ribosomal protein S6 kinase 5,Nuclear mitogen- and stress-activated protein kinase 1,RSK-like protein kinase,RSKL |
| 2 | B (A) | (E)-3-(3-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl)-2-cyanoacrylamide bound form | non-polymer | 291.3 | 1 | Chemie (SUU) | |||
| 3 | C, D (A) | OXAMIC ACID | non-polymer | 89.0 | 2 | Chemie (OXM) | |||
| 4 | E (A) | water | water | 18.0 | 49 | Chemie (HOH) |
Sequence modifications
A: 414 - 737 (UniProt: O75582)
| PDB | External Database | Details |
|---|---|---|
| Gly 413 | - | expression tag |
| Gly 574 | Pro 574 | linker |
| Ser 594 | Asp 575 | linker |
| Gly 595 | Asn 576 | linker |
| - | Gln 577 | deletion |
| - | Pro 578 | deletion |
| - | Leu 579 | deletion |
| - | Lys 580 | deletion |
| - | Thr 581 | deletion |
| - | Pro 582 | deletion |
| - | Cys 583 | deletion |
| - | Phe 584 | deletion |
| - | Thr 585 | deletion |
| - | Leu 586 | deletion |
| - | His 587 | deletion |
| - | Tyr 588 | deletion |
| - | Ala 589 | deletion |
| - | Ala 590 | deletion |
| - | Pro 591 | deletion |
| - | Glu 592 | deletion |
| - | Leu 593 | deletion |
| - | Leu 594 | deletion |
| - | Asn 595 | deletion |
| - | Gln 596 | deletion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 34668.8 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 469.4 | |
| All* | Total formula weight | 35138.2 |
