Research workbench
Pyranose 2-oxidase V546C mutant with 2-fluorinated galactose
Analyse Pyranose 2-oxidase V546C mutant with 2-fluorinated galactose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4MOQ
- Type
- protein
- Length
- 1,141 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pyranose 2-oxidase
- EC
- 1.1.3.10
- UniProt
- Q7ZA32
- Ligands
- 2FG, FDA
- Pockets
- 13 · best druggability 0.88
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pyranose 2-oxidase (EC 1.1.3.10) | protein | 569 | 25% helix, 24% strand | Q7ZA32 |
| B | Pyranose 2-oxidase (EC 1.1.3.10) | protein | 572 | 25% helix, 24% strand | Q7ZA32 |
Ligands and binding sites
- 2FG · 2-deoxy-2-fluoro-beta-D-galactopyranose · ligand · 3 copies · chains A, B
- FDA · Dihydroflavine-adenine dinucleotide · ligand · 2 copies · chains A, B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 524 | 0.88 | 0.94 | 63 | FDA, 2FG |
| 2 | 523 | 0.88 | 0.94 | 64 | FDA, 2FG |
| 3 | 999 | 0.80 | 0.81 | 76 | empty |
| 4 | 805 | 0.79 | 0.83 | 75 | empty |
| 5 | 358 | 0.75 | 0.86 | 70 | empty |
Interfaces
1 interface between chains.
- A–B · 2704 Ų buried · 39 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 4MOQ · Pyranose 2-oxidase V546C mutant with 2-fluorinated galactose · 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 Q7ZA32
- Elsewhere: RCSB PDB 4MOQ · PDBe 4MOQ · UniProt Q7ZA32
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