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The crystal structure of the oxidoreductase from agrobacterium tumefaciens
Analyse The crystal structure of the oxidoreductase from agrobacterium tumefaciens in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3FBS
- Type
- protein
- Length
- 589 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Oxidoreductase
- UniProt
- A9CKI7
- Ligands
- FAD, MG, SO4
- Pockets
- 6 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Oxidoreductase | protein | 294 | 29% helix, 31% strand | A9CKI7 |
| B | Oxidoreductase | protein | 295 | 27% helix, 31% strand | A9CKI7 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1023 | 0.80 | 0.81 | 120 | FAD, MG |
| 2 | 993 | 0.80 | 0.81 | 108 | FAD, MG |
| 3 | 88 | 0.43 | 0.78 | 14 | empty |
| 4 | 77 | 0.37 | 0.77 | 16 | empty |
| 5 | 63 | 0.29 | 0.74 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 535 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3FBS · The crystal structure of the oxidoreductase from Agrobacterium tumefaciens · 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 A9CKI7
- Elsewhere: RCSB PDB 3FBS · PDBe 3FBS · UniProt A9CKI7
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