Research workbench
Crystal structure of the mouse liver aldehyde oxidase 3 (MAOX3)
Analyse Crystal structure of the mouse liver aldehyde oxidase 3 (MAOX3) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ZYV
- Type
- protein
- Length
- 5,016 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AOX3
- EC
- 1.2.3.1
- UniProt
- Q8VI15
- Ligands
- FES, MTE, MOS, FAD, NA
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 4 distinct chains · 33% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | AOX3 (EC 1.2.3.1) | protein | 1253 | 33% helix, 22% strand | Q8VI15 |
| B | AOX3 (EC 1.2.3.1) | protein | 1262 | 33% helix, 22% strand | Q8VI15 |
| C | AOX3 (EC 1.2.3.1) | protein | 1244 | 33% helix, 22% strand | Q8VI15 |
| D | AOX3 (EC 1.2.3.1) | protein | 1257 | 33% helix, 23% strand | Q8VI15 |
Ligands and binding sites
- FES · Fe2/s2 (inorganic) cluster · ligand · 8 copies · chains A, B, C, D
- MTE · Phosphonic acidmono-(2-amino-5,6-dimercapto-4-oxo-3,7,8A,9,10,10A-hexahydro-4H-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl)ester · ligand · 4 copies · chains A, B, C, D
- MOS · Dioxothiomolybdenum(vi) ion · ligand · 4 copies · chains A, B, C, D
- FAD · Flavin-adenine dinucleotide · ligand · 4 copies · chains A, B, C, D
- NA · Sodium ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1075 | 0.87 | 0.88 | 128 | FAD |
| 2 | 956 | 0.86 | 0.88 | 112 | empty |
| 3 | 1158 | 0.86 | 0.87 | 113 | empty |
| 4 | 1189 | 0.85 | 0.86 | 128 | FAD |
| 5 | 975 | 0.84 | 0.86 | 107 | empty |
Interfaces
4 interfaces between chains.
- A–B · 2665 Ų buried · 58 hydrogen bonds · protein-protein
- C–D · 2619 Ų buried · 54 hydrogen bonds · protein-protein
- A–D · 854 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 145 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3ZYV · Crystal structure of the mouse liver Aldehyde Oxidase 3 (mAOX3) · 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
- Every structure of UniProt Q8VI15
- Elsewhere: RCSB PDB 3ZYV · PDBe 3ZYV · UniProt Q8VI15
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