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Structure of human hydroxyacid oxidase 1 bound with 2-((4H-1,2,4- triazol-3-YL)THIO)-1-(4-(3-CHLOROPHENYL)PIPERAZIN-1-YL)ETHAN-1-one
Analyse Structure of human hydroxyacid oxidase 1 bound with 2-((4H-1,2,4… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7R4O
- Type
- protein
- Length
- 341 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydroxyacid oxidase 1
- EC
- 1.1.3.15
- UniProt
- Q9UJM8
- Ligands
- I2W, FMN
- Pockets
- 3 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydroxyacid oxidase 1 (EC 1.1.3.15) | protein | 341 | 47% helix, 14% strand | Q9UJM8 |
Ligands and binding sites
- I2W · 2-((4H-1,2,4-triazol-3-yl)thio)-1-(4-(3-chlorophenyl) piperazin-1-yl)ethan-1-one · ligand · chains A
- FMN · Flavin mononucleotide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 147 | 0.80 | 0.97 | 31 | FMN |
| 2 | 134 | 0.48 | 0.78 | 27 | empty |
| 3 | 55 | 0.26 | 0.73 | 14 | empty |
Compared structures
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 Q9UJM8
- Elsewhere: RCSB PDB 7R4O · PDBe 7R4O · UniProt Q9UJM8
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