MolNFT v1 · #137559 · protein
Structure of human G9A set-domain (EHMT2) in complex with inhibitor 13
5VSC: “Structure of human G9A set-domain (EHMT2) in complex with inhibitor 13”. X-ray diffraction, 2 ligands (9HJ, ZN). MolNFT v1 #137559 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5VSC
- Type
- protein
- Length
- 543 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q96KQ7
- Ligands
- 9HJ, ZN
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 270 | — | Q96KQ7 |
| B | — | protein | 273 | — | Q96KQ7 |
Ligands and binding sites
- 9HJ · 6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)-N~2~-propylquinazoline-2,4-diamine · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 8 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5VSC · Structure of human G9a SET-domain (EHMT2) in complex with inhibitor 13 · the same entry in another collection · chain B against B, TM-score 1.00
- Q96KQ7 · AlphaFold monomer V2.0 prediction for histone-lysine N-methyltransferase EHMT2 (Q96KQ7) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q96KQ7
- Elsewhere: RCSB PDB 5VSC · PDBe 5VSC · UniProt Q96KQ7
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