MolNFT v1 · #188937 · protein
Crystal structure of C-terminal domain of MSK1 in complex with covalently bound with literature RSK2 inhibitor indazole cyanoacrylamide compound 26 (soak)
7UP7: “Crystal structure of C-terminal domain of MSK1 in complex with covalently bound with literature RSK2…”. X-ray diffraction, 1 ligand (1LE). MolNFT v1 #188937 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7UP7
- Type
- protein
- Length
- 557 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- O75582
- Ligands
- 1LE
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 277 | — | O75582 |
| B | — | protein | 280 | — | O75582 |
Ligands and binding sites
- 1LE · (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3, 4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7UP7 · Crystal structure of C-terminal Domain of MSK1 in complex with covalently bound with… · the same entry in another collection · chain A against A, TM-score 1.00
- O75582 · AlphaFold monomer V2.0 prediction for ribosomal protein S6 kinase alpha-5 (O75582) · a predicted model of the same protein · chain A against A, TM-score 0.94
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt O75582
- Elsewhere: RCSB PDB 7UP7 · PDBe 7UP7 · UniProt O75582
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