MolNFT v1 · #124006 · protein
Structure of the SH3 domain of MLK3 bound to peptide generated from phage display
5K26 · Mitogen-activated protein kinase kinase kinase 11,CHIMERA…: “Structure of the SH3 domain of MLK3 bound to peptide generated from phage display”. X-ray diffraction, 1 pocket (best druggability 0.65). MolNFT v1 #124006 on GenesisL1…
- PDB
- 5K26
- Type
- protein
- Length
- 152 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase kinase kinase 11,CHIMERA protein of MLK3-SH3 and mip
- EC
- 2.7.11.25
- UniProt
- Q16584
- Pockets
- 1 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase kinase kinase 11,CHIMERA protein of MLK3-SH3 and mip (EC 2.7.11.25) | protein | 77 | 8% helix, 43% strand | Q16584 |
| B | Mitogen-activated protein kinase kinase kinase 11,CHIMERA protein of MLK3-SH3 and mip (EC 2.7.11.25) | protein | 75 | 8% helix, 45% strand | Q16584 |
Ligands and binding sites
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 488 | 0.65 | 0.77 | 43 | empty |
Interfaces
1 interface between chains.
- A–B · 656 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 5K26 · Structure of the SH3 domain of MLK3 bound to peptide generated from phage display · the same entry in another collection · chain A against A, TM-score 1.00
- Q16584 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase kinase kinase 11… · a predicted model of the same protein · chain A against A, TM-score 0.78
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 Q16584
- Elsewhere: RCSB PDB 5K26 · PDBe 5K26 · UniProt Q16584
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