MolNFT v1 · #179184 · protein
Structure of monobody 32 human mlkl pseudokinase domain complex
7JXU · Mixed lineage kinase domain-like protein: “Structure of monobody 32 human mlkl pseudokinase domain complex”. X-ray diffraction, 9 pockets (best druggability 0.74). MolNFT v1 #179184 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7JXU
- Type
- protein
- Length
- 748 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mixed lineage kinase domain-like protein; Monobody 32
- UniProt
- Q8NB16
- Pockets
- 9 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Mixed lineage kinase domain-like protein | protein | 281 | 41% helix, 15% strand | Q8NB16 |
| D, C | Monobody 32 | protein | 93 | 0% helix, 56% strand | — |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 758 | 0.74 | 0.79 | 51 | EDO |
| 2 | 650 | 0.73 | 0.80 | 52 | EDO |
| 3 | 54 | 0.66 | 0.95 | 18 | empty |
| 4 | 542 | 0.63 | 0.75 | 59 | empty |
| 5 | 353 | 0.56 | 0.75 | 43 | empty |
Interfaces
4 interfaces between chains.
- B–D · 1164 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 1132 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 165 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 39 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7JXU · Structure of monobody 32 human MLKL pseudokinase domain complex · the same entry in another collection · chain A against A, TM-score 1.00
- Q8NB16 · AlphaFold monomer V2.0 prediction for mixed lineage kinase domain- like protein (Q8NB16) · a predicted model of the same protein · chain A 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 Q8NB16
- Elsewhere: RCSB PDB 7JXU · PDBe 7JXU · UniProt Q8NB16
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