MolNFT v1 · #38710 · protein
Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex
2H6Q · Wd-repeat protein 5: “Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex”. X-ray diffraction, 4 pockets (best druggability 0.85). MolNFT v1 #38710 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2H6Q
- Type
- protein
- Length
- 622 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Wd-repeat protein 5; Histone H3 K4-ME3 9-residue peptide
- UniProt
- P61964
- Pockets
- 4 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 0% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Wd-repeat protein 5 | protein | 304 | 0% helix, 52% strand | P61964 |
| C, D | Histone H3 K4-ME3 9-residue peptide | protein | 7 | 0% helix, 0% strand | — |
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 731 | 0.85 | 0.88 | 60 | empty |
| 2 | 488 | 0.73 | 0.82 | 44 | empty |
| 3 | 205 | 0.56 | 0.79 | 29 | empty |
| 4 | 85 | 0.36 | 0.76 | 22 | empty |
Interfaces
3 interfaces between chains.
- B–D · 625 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 602 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 505 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (methylation).
Compared structures
- 2H6Q · Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex · the same entry in another collection · chain A against A, TM-score 1.00
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 P61964
- Elsewhere: RCSB PDB 2H6Q · PDBe 2H6Q · UniProt P61964
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