MolNFT v1 · #38704 · protein
Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex
2H6K · Wd-repeat protein 5: “Histone H3 recognition and presentation by the WDR5 module of the MLL1 complex”. X-ray diffraction, 3 pockets (best druggability 0.84). MolNFT v1 #38704 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2H6K
- Type
- protein
- Length
- 628 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Wd-repeat protein 5; Histone H3 K4-me 9-residue peptide
- UniProt
- P61964
- Pockets
- 3 · best druggability 0.84
Structure
x-ray diffraction · 4 distinct chains · 0% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Wd-repeat protein 5 | protein | 305 | 0% helix, 52% strand | P61964 |
| B | Wd-repeat protein 5 | protein | 306 | 0% helix, 51% strand | P61964 |
| C | Histone H3 K4-me 9-residue peptide | protein | 9 | 0% helix, 0% strand | — |
| D | Histone H3 K4-me 9-residue peptide | protein | 8 | 0% helix, 0% strand | — |
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 834 | 0.84 | 0.86 | 77 | empty |
| 2 | 502 | 0.73 | 0.82 | 44 | empty |
| 3 | 177 | 0.55 | 0.80 | 27 | empty |
Interfaces
3 interfaces between chains.
- A–C · 713 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 691 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 487 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (methylation).
Compared structures
- 2H6K · 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 2H6K · PDBe 2H6K · UniProt P61964
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