MolNFT v1 · #159668 · protein
A SETD3 mutant (N255A) in complex with an actin peptide with HIS73 replaced with lysine
6OX5: “A SETD3 mutant (N255A) in complex with an actin peptide with HIS73 replaced with lysine”. X-ray diffraction, 1 ligand (SAH), 4 pockets (best druggability 0.66). MolNFT v1 #159668 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6OX5
- Type
- protein
- Length
- 502 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Actin peptide; Actin-histidine N-methyltransferase
- EC
- 2.1.1.85
- UniProt
- P60709, Q86TU7
- Ligands
- SAH
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| Y | Actin peptide | protein | 18 | 0% helix, 6% strand | P60709 |
| A | Actin-histidine N-methyltransferase (EC 2.1.1.85) | protein | 484 | 51% helix, 12% strand | Q86TU7 |
Ligands and binding sites
- SAH · S-adenosyl-L-homocysteine · ligand · chains Y, A
- EDO · 1,2-ethanediol · additive · 8 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 366 | 0.66 | 0.80 | 33 | SAH, EDO |
| 2 | 263 | 0.61 | 0.80 | 49 | empty |
| 3 | 79 | 0.37 | 0.77 | 15 | empty |
| 4 | 64 | 0.34 | 0.77 | 13 | EDO |
Interfaces
1 interface between chains.
- Y–A · 1220 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 6OX5 · A SETD3 Mutant (N255A) in Complex with an Actin Peptide with His73 Replaced with Lysine · the same entry in another collection · chain Y against Y, TM-score 1.00
- Q86TU7 · AlphaFold monomer V2.0 prediction for actin-histidine N-methyltransferase (Q86TU7) · a predicted model of the same protein · chain A against A, TM-score 1.00
- P60709 · AlphaFold monomer V2.0 prediction for actin, cytoplasmic 1 (P60709) · a predicted model of the same protein · chain Y against A, TM-score 0.21
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 P60709
- Every structure of UniProt Q86TU7
- Elsewhere: RCSB PDB 6OX5 · PDBe 6OX5 · UniProt P60709 · UniProt Q86TU7
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