MolNFT v1 · #59896 · protein
SET7/9-er-sinefungin complex
3CBP · Histone-lysine N-methyltransferase SETD7: “SET7/9-er-sinefungin complex”. X-ray diffraction, 1 ligand (SFG), 1 pocket (best druggability 0.46). MolNFT v1 #59896 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3CBP
- Type
- protein
- Length
- 243 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histone-lysine N-methyltransferase SETD7; Estrogen receptor
- EC
- 2.1.1.43
- UniProt
- Q8WTS6, P03372
- Ligands
- SFG
- Pockets
- 1 · best druggability 0.46
Structure
x-ray diffraction · 2 distinct chains · 11% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Histone-lysine N-methyltransferase SETD7 (EC 2.1.1.43) | protein | 239 | 11% helix, 39% strand | Q8WTS6 |
| B | Estrogen receptor | protein | 4 | 0% helix, 0% strand | P03372 |
Ligands and binding sites
- SFG · Sinefungin · ligand · chains A, B
- BME · Beta-mercaptoethanol · additive · 3 copies · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 160 | 0.46 | 0.76 | 23 | SFG |
Interfaces
1 interface between chains.
- A–B · 469 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 3CBP · Set7/9-ER-Sinefungin complex · the same entry in another collection · chain A against A, 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
- P03372 · AlphaFold monomer V2.0 prediction for estrogen receptor (P03372) · a predicted model of the same protein · chain B against A, TM-score 0.88
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 P03372
- Elsewhere: RCSB PDB 3CBP · PDBe 3CBP · UniProt Q8WTS6 · UniProt P03372
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