MolNFT v1 · #183716 · protein
Crystal structure of the human METTL3-METTL14 complex bound to compound 15 (ADO_AE_026)
7O0R · N6-adenosine-methyltransferase catalytic subunit: “Crystal structure of the human METTL3-METTL14 complex bound to compound 15 (ADO_AE_026)”. X-ray diffraction, 1 ligand (UY5), 3 pockets (best druggability 0.64). MolNFT v1 #183716 on…
- PDB
- 7O0R
- Type
- protein
- Length
- 442 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
- UY5
- Pockets
- 3 · best druggability 0.64
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 | 199 | 23% helix, 28% strand | Q86U44 |
| B | N6-adenosine-methyltransferase non-catalytic subunit | protein | 243 | 27% helix, 24% strand | Q9HCE5 |
Ligands and binding sites
- UY5 · 4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-9-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one · 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 | 380 | 0.64 | 0.79 | 52 | empty |
| 2 | 269 | 0.61 | 0.80 | 39 | UY5 |
| 3 | 60 | 0.41 | 0.81 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1978 Ų buried · 35 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 7O0R · Crystal structure of the human METTL3-METTL14 complex bound to Compound 15 (ADO_AE_026) · 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 7O0R · PDBe 7O0R · UniProt Q86U44 · UniProt Q9HCE5
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