Research workbench
Pyranose 2-oxidase V546C mutant with 2-fluorinated glucose
Analyse Pyranose 2-oxidase V546C mutant with 2-fluorinated glucose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4MOH
- Type
- protein
- Length
- 576 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pyranose 2-oxidase
- EC
- 1.1.3.10
- UniProt
- Q7ZA32
- Ligands
- FDA, SHG
- Pockets
- 6 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pyranose 2-oxidase (EC 1.1.3.10) | protein | 576 | 25% helix, 23% strand | Q7ZA32 |
Ligands and binding sites
- FDA · Dihydroflavine-adenine dinucleotide · ligand · chains A
- SHG · 2-deoxy-2-fluoro-beta-D-glucopyranose · ligand · chains A
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 718 | 0.86 | 0.89 | 67 | FDA, SHG |
| 2 | 311 | 0.66 | 0.82 | 36 | empty |
| 3 | 90 | 0.53 | 0.84 | 24 | empty |
| 4 | 77 | 0.33 | 0.74 | 13 | empty |
| 5 | 56 | 0.30 | 0.75 | 14 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 4MOH · Pyranose 2-oxidase V546C mutant with 2-fluorinated glucose · 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 4MOH · PDBe 4MOH · UniProt Q7ZA32
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