MolNFT v1 · #185690 · protein
Crystal structure of human peroxisomal acyl-co-a oxidase 1A, FAD- bound-form
7Q86 · Isoform 2 of peroxisomal acyl-coenzyme a oxidase 1: “Crystal structure of human peroxisomal acyl-co-a oxidase 1A, FAD- bound-form”. X-ray diffraction, 1 ligand (FAD), 16 pockets (best druggability 0.88). MolNFT v1 #185690 on…
- PDB
- 7Q86
- Type
- protein
- Length
- 1,219 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
- Ligands
- FAD
- Pockets
- 16 · best druggability 0.88
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 | 612 | 60% helix, 10% strand | — |
| B | Isoform 2 of peroxisomal acyl-coenzyme a oxidase 1 (EC 1.3.3.6) | protein | 607 | 61% helix, 10% strand | — |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1185 | 0.88 | 0.89 | 121 | FAD |
| 2 | 851 | 0.87 | 0.89 | 96 | FAD |
| 3 | 873 | 0.84 | 0.86 | 99 | empty |
| 4 | 320 | 0.80 | 0.91 | 35 | empty |
| 5 | 340 | 0.79 | 0.89 | 44 | empty |
Interfaces
1 interface between chains.
- A–B · 4461 Ų buried · 69 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (oxidation).
Compared structures
- 7Q86 · Crystal structure of human peroxisomal acyl-Co-A oxidase 1a, FAD-bound-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 7Q86 · PDBe 7Q86
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