MolNFT v1 · #101799 · protein
Crystal structure of MST3-MO25 complex with wif motif
4O27 · Calcium-binding protein 39: “Crystal structure of MST3-MO25 complex with wif motif”. X-ray diffraction, 2 ligands (ADP, MN), 4 pockets (best druggability 0.76). MolNFT v1 #101799 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4O27
- Type
- protein
- Length
- 611 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calcium-binding protein 39; SERINE/THREONINE-protein kinase 24; 5-mer peptide from…
- EC
- 2.7.11.1
- UniProt
- Q9Y376, Q9Y6E0
- Ligands
- ADP, MN
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 57% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calcium-binding protein 39 | protein | 325 | 74% helix, 1% strand | Q9Y376 |
| B | SERINE/THREONINE-protein kinase 24 (EC 2.7.11.1) | protein | 281 | 39% helix, 19% strand | Q9Y6E0 |
| C | 5-mer peptide from SERINE/THREONINE-protein kinase 24 (EC 2.7.11.1) | protein | 5 | 0% helix, 0% strand | Q9Y6E0 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1020 | 0.76 | 0.78 | 85 | empty |
| 2 | 459 | 0.67 | 0.79 | 52 | ADP, MN |
| 3 | 52 | 0.35 | 0.79 | 16 | empty |
| 4 | 66 | 0.28 | 0.73 | 13 | empty |
Interfaces
2 interfaces between chains.
- A–B · 941 Ų buried · 15 hydrogen bonds · protein-protein
- A–C · 363 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4O27 · Crystal structure of MST3-MO25 complex with WIF motif · the same entry in another collection · chain A against A, TM-score 1.00
- Q9Y376 · AlphaFold monomer V2.0 prediction for calcium-binding protein 39 (Q9Y376) · a predicted model of the same protein · chain A against A, TM-score 0.99
- Q9Y6E0 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase 24 (Q9Y6E0) · a predicted model of the same protein · chain B 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 Q9Y376
- Every structure of UniProt Q9Y6E0
- Elsewhere: RCSB PDB 4O27 · PDBe 4O27 · UniProt Q9Y376 · UniProt Q9Y6E0
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.