7UP5
Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound pyrrolopyrimidine compound 23 (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, B (A, B) | Ribosomal protein S6 kinase alpha-5 | polymer | 306 | 34668.8 | 2 | 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 | C, F (A, B) | (2M)-6-chloro-2-(5H-pyrrolo[3,2-d]pyrimidin-5-yl)pyridine-3-carbonitrile | non-polymer | 255.7 | 2 | Chemie (O1R) | |||
| 3 | D, E, G (A, B) | IODIDE ION | non-polymer | 126.9 | 3 | Chemie (IOD) | |||
| 4 | H, I (A, B) | water | water | 18.0 | 38 | Chemie (HOH) |
Sequence modifications
A, B: 414 - 737 (UniProt: O75582)
| PDB | External Database | Details |
|---|---|---|
| Gly 413 | - | expression tag |
| Gly 574 | Pro 574 | conflict |
| Ser 594 | Asp 575 | conflict |
| Gly 595 | Asn 576 | conflict |
| - | 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 | 2 |
| Total formula weight | 69337.6 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 892.0 | |
| All* | Total formula weight | 70229.7 |
