Research workbench
Crystal structure of human peroxisomal acyl-co-a oxidase 1A, apo-form
Analyse Crystal structure of human peroxisomal acyl-co-a oxidase 1A, apo-form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7Q84
- Type
- protein
- Length
- 1,253 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isoform 2 of peroxisomal acyl-coenzyme a oxidase 1
- EC
- 1.3.3.6
- Pockets
- 12 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 60% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isoform 2 of peroxisomal acyl-coenzyme a oxidase 1 (EC 1.3.3.6) | protein | 628 | 60% helix, 10% strand | — |
| B | Isoform 2 of peroxisomal acyl-coenzyme a oxidase 1 (EC 1.3.3.6) | protein | 625 | 61% helix, 10% strand | — |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 10 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
- PGE · Triethylene glycol · additive · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1007 | 0.87 | 0.88 | 100 | EDO, PGE |
| 2 | 950 | 0.86 | 0.88 | 102 | PGE, EDO, PEG |
| 3 | 1185 | 0.83 | 0.84 | 109 | GOL, EDO |
| 4 | 416 | 0.80 | 0.89 | 52 | empty |
| 5 | 383 | 0.80 | 0.89 | 37 | EDO |
Interfaces
1 interface between chains.
- A–B · 5469 Ų buried · 84 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (oxidation).
Compared structures
- 7Q84 · Crystal structure of human peroxisomal acyl-Co-A oxidase 1a, apo-form · the same entry in another collection · 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
- Elsewhere: RCSB PDB 7Q84 · PDBe 7Q84
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