MolNFT v1 · #36393 · protein
Crystal structure of FUS3 in complex with a STE5 peptide
2F49 · Mitogen-activated protein kinase FUS3: “Crystal structure of FUS3 in complex with a STE5 peptide”. X-ray diffraction, 2 ligands (MG, SCN), 10 pockets (best druggability 0.70). MolNFT v1 #36393 on GenesisL1: 3D structure, binding…
- PDB
- 2F49
- Type
- protein
- Length
- 691 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase FUS3; STE5 peptide
- EC
- 2.7.1.37
- UniProt
- P16892
- Ligands
- MG, SCN
- Pockets
- 10 · best druggability 0.70
Structure
x-ray diffraction · 3 distinct chains · 39% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase FUS3 (EC 2.7.1.37) | protein | 335 | 39% helix, 17% strand | P16892 |
| B | Mitogen-activated protein kinase FUS3 (EC 2.7.1.37) | protein | 337 | 40% helix, 15% strand | P16892 |
| C | STE5 peptide | protein | 19 | 0% helix, 37% strand | — |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
- SCN · Thiocyanate ion · ion · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 522 | 0.70 | 0.79 | 49 | SCN |
| 2 | 382 | 0.68 | 0.81 | 38 | empty |
| 3 | 504 | 0.67 | 0.78 | 47 | SCN |
| 4 | 288 | 0.51 | 0.74 | 31 | MG |
| 5 | 145 | 0.46 | 0.76 | 19 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1261 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 1143 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 2F49 · Crystal structure of Fus3 in complex with a Ste5 peptide · the same entry in another collection · chain A against A, TM-score 1.00
- P16892 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase FUS3 (P16892) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 P16892
- Elsewhere: RCSB PDB 2F49 · PDBe 2F49 · UniProt P16892
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