MolNFT v1 · #183710 · protein
Crystal structure of the human METTL3-METTL14 complex bound to compound 8 (ADO_AC_093)
7O0L · N6-adenosine-methyltransferase non-catalytic subunit: “Crystal structure of the human METTL3-METTL14 complex bound to compound 8 (ADO_AC_093)”. X-ray diffraction, 1 ligand (UXW), 4 pockets (best druggability 0.66). MolNFT v1 #183710…
- PDB
- 7O0L
- Type
- protein
- Length
- 445 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N6-adenosine-methyltransferase non-catalytic subunit; N6-adenosine-methyltransferase…
- EC
- 2.1.1.348
- UniProt
- Q9HCE5, Q86U44
- Ligands
- UXW
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | N6-adenosine-methyltransferase non-catalytic subunit | protein | 244 | 26% helix, 23% strand | Q9HCE5 |
| A | N6-adenosine-methyltransferase catalytic subunit (EC 2.1.1.348) | protein | 201 | 23% helix, 28% strand | Q86U44 |
Ligands and binding sites
- UXW · 4-[6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridin-3-yl]-9-[6-[(phenylmethyl)amino]pyrimidin-4-yl]-1,4,9-triazaspiro[5.5]undecan-2-one · ligand · chains A
- ACT · Acetate ion · additive · chains B, 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 | 374 | 0.66 | 0.80 | 61 | empty |
| 2 | 260 | 0.63 | 0.81 | 36 | UXW |
| 3 | 55 | 0.39 | 0.80 | 15 | empty |
| 4 | 65 | 0.29 | 0.73 | 13 | empty |
Interfaces
1 interface between chains.
- B–A · 1990 Ų buried · 40 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 7O0L · Crystal structure of the human METTL3-METTL14 complex bound to Compound 8 (ADO_AC_093) · the same entry in another collection · chain B against B, 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 Q9HCE5
- Every structure of UniProt Q86U44
- Elsewhere: RCSB PDB 7O0L · PDBe 7O0L · UniProt Q9HCE5 · UniProt Q86U44
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