MolNFT v1 · #184454 · protein
Crystal structure of the human METTL3-METTL14 complex with compound UOZ113
7OQP · N6-adenosine-methyltransferase catalytic subunit: “Crystal structure of the human METTL3-METTL14 complex with compound UOZ113”. X-ray diffraction, 1 ligand (0BH), 3 pockets (best druggability 0.60). MolNFT v1 #184454 on GenesisL1…
- PDB
- 7OQP
- Type
- protein
- Length
- 440 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
- 0BH
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N6-adenosine-methyltransferase catalytic subunit (EC 2.1.1.348) | protein | 198 | 24% helix, 28% strand | Q86U44 |
| B | N6-adenosine-methyltransferase non-catalytic subunit | protein | 242 | 28% helix, 24% strand | Q9HCE5 |
Ligands and binding sites
- 0BH · N-[[(3R)-1-[6-(1-benzothiophen-4-ylmethylamino) pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-4-[[(3S)-3-propan-2-yl-2-azaspiro[3.3]heptan-2-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 | 280 | 0.60 | 0.79 | 40 | empty |
| 2 | 249 | 0.54 | 0.77 | 32 | 0BH |
| 3 | 70 | 0.43 | 0.81 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 2003 Ų buried · 40 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 7OQP · Crystal structure of the human METTL3-METTL14 complex with compound UOZ113 · the same entry in another collection · chain A against A, TM-score 1.00
- 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 7OQP · PDBe 7OQP · UniProt Q86U44 · UniProt Q9HCE5
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