MolNFT v1 · #183192 · protein
Crystal structure of the human METTL3-METTL14 complex with compound UOZ016
7NHV · N6-adenosine-methyltransferase catalytic subunit: “Crystal structure of the human METTL3-METTL14 complex with compound UOZ016”. X-ray diffraction, 1 ligand (UE5), 3 pockets (best druggability 0.63). MolNFT v1 #183192 on GenesisL1…
- PDB
- 7NHV
- Type
- protein
- Length
- 445 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N6-adenosine-methyltransferase catalytic subunit; N6-adenosine-methyltransferase…
- EC
- 2.1.1.348
- UniProt
- Q86U44, Q9HCE5
- Ligands
- UE5
- Pockets
- 3 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N6-adenosine-methyltransferase catalytic subunit (EC 2.1.1.348) | protein | 201 | 23% helix, 27% strand | Q86U44 |
| B | N6-adenosine-methyltransferase non-catalytic subunit | protein | 244 | 26% helix, 25% strand | Q9HCE5 |
Ligands and binding sites
- UE5 · (R)-N-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-((4,4-dimethylpiperidin-1-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 | 267 | 0.63 | 0.81 | 35 | empty |
| 2 | 307 | 0.59 | 0.78 | 41 | UE5 |
| 3 | 54 | 0.29 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 2002 Ų buried · 35 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 7NHV · Crystal structure of the human METTL3-METTL14 complex with compound UOZ016 · 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 0.98
- 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 0.96
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 7NHV · PDBe 7NHV · UniProt Q86U44 · UniProt Q9HCE5
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