Research workbench
Crystal structure of the human METTL3-METTL14 complex with compound UOZ038
Analyse Crystal structure of the human METTL3-METTL14 complex with compound UOZ038 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7OEF
- Type
- protein
- Length
- 439 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.03
- Source
- Homo sapiens
- Molecule
- N6-adenosine-methyltransferase catalytic subunit; N6-adenosine-methyltransferase…
- EC
- 2.1.1.348
- UniProt
- Q86U44, Q9HCE5
- Ligands
- VAT
- Pockets
- 3 · best druggability 0.59
Structure
x-ray diffraction · resolution 2.03 · 2 distinct chains · 26% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N6-adenosine-methyltransferase catalytic subunit (EC 2.1.1.348) | protein | 198 | 24% helix, 29% strand | Q86U44 |
| B | N6-adenosine-methyltransferase non-catalytic subunit | protein | 241 | 27% helix, 25% strand | Q9HCE5 |
Ligands and binding sites
- VAT · 4-(2-azaspiro[3.4]octan-2-ylmethyl)-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide · ligand · chains A
- ACT · Acetate ion · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 265 | 0.59 | 0.79 | 42 | VAT |
| 2 | 268 | 0.58 | 0.78 | 29 | empty |
| 3 | 51 | 0.24 | 0.72 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 2008 Ų buried · 39 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 7OEF · Crystal structure of the human METTL3-METTL14 complex with compound UOZ038 · the same entry in another collection · chain A against A, TM-score 1.00
- Q86U44 · AlphaFold monomer V2.0 prediction for N6-adenosine-methyltransferase catalytic subunit… · a predicted model of the same protein · chain A against A, TM-score 0.99
- Q9HCE5 · AlphaFold monomer V2.0 prediction for N6-adenosine-methyltransferase non-catalytic… · a predicted model of the same protein · chain B against A, TM-score 0.95
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 Q86U44
- Every structure of UniProt Q9HCE5
- Elsewhere: RCSB PDB 7OEF · PDBe 7OEF · UniProt Q86U44 · UniProt Q9HCE5
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