Research workbench
Pyranose 2-oxidase T169A, monoclinic
Analyse Pyranose 2-oxidase T169A, monoclinic in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3LSH
- Type
- protein
- Length
- 2,301 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pyranose 2-oxidase
- EC
- 1.1.3.10
- UniProt
- Q7ZA32
- Ligands
- FAD
- Pockets
- 20 · best druggability 0.88
Structure
x-ray diffraction · 3 distinct chains · 25% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Pyranose 2-oxidase (EC 1.1.3.10) | protein | 576 | 24% helix, 24% strand | Q7ZA32 |
| C | Pyranose 2-oxidase (EC 1.1.3.10) | protein | 575 | 25% helix, 25% strand | Q7ZA32 |
| D | Pyranose 2-oxidase (EC 1.1.3.10) | protein | 574 | 25% helix, 23% strand | Q7ZA32 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 4 copies · chains A, B, C, D
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains C
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 | 505 | 0.88 | 0.95 | 64 | FAD |
| 2 | 513 | 0.88 | 0.94 | 65 | FAD |
| 3 | 505 | 0.88 | 0.94 | 65 | FAD |
| 4 | 707 | 0.86 | 0.90 | 90 | FAD |
| 5 | 970 | 0.83 | 0.84 | 98 | empty |
Interfaces
6 interfaces between chains.
- C–D · 2705 Ų buried · 42 hydrogen bonds · protein-protein
- A–B · 2701 Ų buried · 41 hydrogen bonds · protein-protein
- A–C · 1203 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 1200 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 477 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3LSH · Pyranose 2-oxidase T169A, monoclinic · 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 3LSH · PDBe 3LSH · UniProt Q7ZA32
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