MolNFT v1 · #156903 · protein
Crystal structure of AF9 yeats domain Y78W mutant in complex with histone H3K9CR
6MIM · Protein af-9: “Crystal structure of AF9 yeats domain Y78W mutant in complex with histone H3K9CR”. X-ray diffraction, 3 pockets (best druggability 0.66). MolNFT v1 #156903 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6MIM
- Type
- protein
- Length
- 286 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein af-9; Histone H3K9CR
- UniProt
- P42568
- Pockets
- 3 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 9% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Protein af-9 | protein | 137 | 9% helix, 51% strand | P42568 |
| B, D | Histone H3K9CR | protein | 6 | 0% helix, 17% strand | — |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 545 | 0.66 | 0.77 | 48 | empty |
| 2 | 97 | 0.37 | 0.75 | 17 | empty |
| 3 | 52 | 0.30 | 0.76 | 15 | empty |
Interfaces
4 interfaces between chains.
- C–D · 546 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 543 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 120 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 93 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 2 modified (nonstandard).
Compared structures
- 6MIM · Crystal structure of AF9 YEATS domain Y78W mutant in complex with histone H3K9cr · the same entry in another collection · chain A against A, TM-score 1.00
- P42568 · AlphaFold monomer V2.0 prediction for protein af-9 (P42568) · a predicted model of the same protein · chain C against A, TM-score 0.99
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 P42568
- Elsewhere: RCSB PDB 6MIM · PDBe 6MIM · UniProt P42568
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