MolNFT v2 · #153491 · 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 at 2.351, 2 ligands (A8U, ZN). MolNFT v2 #153491 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 v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.351
- Source
- Homo sapiens
- UniProt
- Q9H7B4
- Ligands
- A8U, ZN
Structure
x-ray diffraction · resolution 2.351 · 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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