MolNFT v1 · #69238 · protein
X-ray structure of P. syringae Q888A4 oxidoreductase at resolution 2.5A, northeast structural genomics consortium target PSR10
3KKJ · Amine oxidase, flavin-containing: “X-ray structure of P. syringae Q888A4 oxidoreductase at resolution 2.5A, northeast structural genomics…”. X-ray diffraction, 1 ligand (FAD), 3 pockets (best druggability 0.87). MolNFT v1 #69238 on…
- PDB
- 3KKJ
- Type
- protein
- Length
- 656 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Amine oxidase, flavin-containing
- UniProt
- Q888A4
- Ligands
- FAD
- Pockets
- 3 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Amine oxidase, flavin-containing | protein | 328 | 29% helix, 30% strand | Q888A4 |
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
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1148 | 0.87 | 0.88 | 134 | FAD |
| 2 | 111 | 0.54 | 0.82 | 20 | empty |
| 3 | 91 | 0.54 | 0.84 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1337 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 3KKJ · X-ray structure of P. syringae q888a4 Oxidoreductase at resolution 2.5A, Northeast… · the same entry in another collection · chain A against A, TM-score 1.00
- Q888A4 · AlphaFold monomer V2.0 prediction for renalase (Q888A4) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q888A4
- Elsewhere: RCSB PDB 3KKJ · PDBe 3KKJ · UniProt Q888A4
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