MolNFT v1 · #152744 · protein
Crystal structure of the human cap-specific adenosine methyltransferase bound to sah
6IRW · Phosphorylated ctd-interacting factor 1: “Crystal structure of the human cap-specific adenosine methyltransferase bound to sah”. X-ray diffraction, 1 ligand (SAH), 13 pockets (best druggability 0.84). MolNFT v1 #152744 on GenesisL1…
- PDB
- 6IRW
- Type
- protein
- Length
- 985 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphorylated ctd-interacting factor 1
- UniProt
- Q9H4Z3
- Ligands
- SAH
- Pockets
- 13 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphorylated ctd-interacting factor 1 | protein | 494 | 47% helix, 13% strand | Q9H4Z3 |
| B | Phosphorylated ctd-interacting factor 1 | protein | 491 | 47% helix, 13% strand | Q9H4Z3 |
Ligands and binding sites
- SAH · S-adenosyl-L-homocysteine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 686 | 0.84 | 0.88 | 87 | SAH |
| 2 | 343 | 0.78 | 0.88 | 53 | SAH |
| 3 | 346 | 0.65 | 0.80 | 36 | empty |
| 4 | 250 | 0.59 | 0.79 | 30 | empty |
| 5 | 58 | 0.55 | 0.89 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1442 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 6IRW · Crystal structure of the human cap-specific adenosine methyltransferase bound to SAH · the same entry in another collection · chain A against A, TM-score 1.00
- Q9H4Z3 · AlphaFold monomer V2.0 prediction for mRNA (2'-O-methyladenosine-N(6)-)-methyltransferase… · a predicted model of the same protein · chain B against A, TM-score 0.98
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 Q9H4Z3
- Elsewhere: RCSB PDB 6IRW · PDBe 6IRW · UniProt Q9H4Z3
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