MolNFT v1 · #81589 · protein
Crystal structure of WDR5 in complex with the WDR5-interacting motif of SET1A
3UVN · Wd repeat-containing protein 5: “Crystal structure of WDR5 in complex with the WDR5-interacting motif of SET1A”. X-ray diffraction, 5 pockets (best druggability 0.74). MolNFT v1 #81589 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3UVN
- Type
- protein
- Length
- 625 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Wd repeat-containing protein 5; Histone-lysine N-methyltransferase SETD1A
- EC
- 2.1.1.43
- UniProt
- P61964, O15047
- Pockets
- 5 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 2% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Wd repeat-containing protein 5 | protein | 304 | 0% helix, 51% strand | P61964 |
| B | Histone-lysine N-methyltransferase SETD1A (EC 2.1.1.43) | protein | 9 | 44% helix, 0% strand | O15047 |
| D | Histone-lysine N-methyltransferase SETD1A (EC 2.1.1.43) | protein | 8 | 50% helix, 0% strand | O15047 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 474 | 0.74 | 0.83 | 44 | empty |
| 2 | 494 | 0.74 | 0.82 | 44 | empty |
| 3 | 127 | 0.43 | 0.77 | 16 | empty |
| 4 | 115 | 0.42 | 0.77 | 18 | empty |
| 5 | 84 | 0.36 | 0.76 | 24 | empty |
Interfaces
3 interfaces between chains.
- A–B · 622 Ų buried · 10 hydrogen bonds · protein-protein
- C–D · 583 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 582 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 3UVN · Crystal structure of WDR5 in complex with the WDR5-interacting motif of SET1A · the same entry in another collection · chain A against A, TM-score 1.00
- O15047 · AlphaFold monomer V2.0 prediction for histone-lysine N-methyltransferase SETD1A (O15047) · a predicted model of the same protein · chain D against A, TM-score 0.71
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
- Every structure of UniProt O15047
- Elsewhere: RCSB PDB 3UVN · PDBe 3UVN · UniProt P61964 · UniProt O15047
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