MolNFT v1 · #152500 · protein
Crystal structure of SMYD3 in complex with covalent inhibitor 5
6IJL: “Crystal structure of SMYD3 in complex with covalent inhibitor 5”. X-ray diffraction, 2 ligands (A8U, ZN). MolNFT v1 #152500 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6IJL
- Type
- protein
- Length
- 424 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q9H7B4
- Ligands
- A8U, ZN
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 424 | — | Q9H7B4 |
Ligands and binding sites
- A8U · Propyl (2~{R})-4-[2-[4-(1-azanylcyclopropyl) phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate · ligand · chains A
- ZN · Zinc ion · metal · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6IJL · Crystal structure of SmyD3 in complex with covalent inhibitor 5 · the same entry in another collection · chain A against A, TM-score 1.00
- Q9H7B4 · AlphaFold monomer V2.0 prediction for histone-lysine N-methyltransferase SMYD3 (Q9H7B4) · a predicted model of the same protein · chain A against A, TM-score 1.00
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 Q9H7B4
- Elsewhere: RCSB PDB 6IJL · PDBe 6IJL · UniProt Q9H7B4
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