MolNFT v1 · #96055 · protein
SET7/9 in complex with TAF10K189A peptide and adohcy
4J8O · Histone-lysine N-methyltransferase SETD7: “SET7/9 in complex with TAF10K189A peptide and adohcy”. X-ray diffraction, 1 ligand (SAH), 2 pockets (best druggability 0.42). MolNFT v1 #96055 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4J8O
- Type
- protein
- Length
- 252 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histone-lysine N-methyltransferase SETD7; Transcription initiation factor tfiid subunit 10
- EC
- 2.1.1.43
- UniProt
- Q8WTS6, Q12962
- Ligands
- SAH
- Pockets
- 2 · best druggability 0.42
Structure
x-ray diffraction · 2 distinct chains · 11% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Histone-lysine N-methyltransferase SETD7 (EC 2.1.1.43) | protein | 245 | 11% helix, 38% strand | Q8WTS6 |
| B | Transcription initiation factor tfiid subunit 10 | protein | 7 | 0% helix, 14% strand | Q12962 |
Ligands and binding sites
- SAH · S-adenosyl-L-homocysteine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 146 | 0.42 | 0.75 | 27 | SAH |
| 2 | 53 | 0.31 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 572 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4J8O · SET7/9 in complex with TAF10K189A peptide and AdoHcy · the same entry in another collection · chain B against B, TM-score 1.00
- Q8WTS6 · AlphaFold monomer V2.0 prediction for histone-lysine N-methyltransferase SETD7 (Q8WTS6) · a predicted model of the same protein · chain A against A, TM-score 0.99
- Q12962 · AlphaFold monomer V2.0 prediction for transcription initiation factor tfiid subunit 10… · a predicted model of the same protein · chain B against A, TM-score 0.45
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 Q8WTS6
- Every structure of UniProt Q12962
- Elsewhere: RCSB PDB 4J8O · PDBe 4J8O · UniProt Q8WTS6 · UniProt Q12962
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