Research workbench
Crystal structure of GOX2253
Analyse Crystal structure of GOX2253 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3WJ7
- Type
- protein
- Length
- 990 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative oxidoreductase
- UniProt
- Q5FNR0
- Ligands
- HG
- Pockets
- 9 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Putative oxidoreductase | protein | 330 | 44% helix, 17% strand | Q5FNR0 |
Ligands and binding sites
- HG · Mercury (II) ion · metal · 6 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 855 | 0.87 | 0.90 | 102 | empty |
| 2 | 761 | 0.86 | 0.89 | 84 | empty |
| 3 | 475 | 0.83 | 0.90 | 54 | empty |
| 4 | 239 | 0.79 | 0.92 | 36 | empty |
| 5 | 379 | 0.79 | 0.88 | 51 | HG |
Interfaces
3 interfaces between chains.
- B–C · 1212 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 1209 Ų buried · 15 hydrogen bonds · protein-protein
- A–C · 1182 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 3WJ7 · Crystal structure of gox2253 · 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 Q5FNR0
- Elsewhere: RCSB PDB 3WJ7 · PDBe 3WJ7 · UniProt Q5FNR0
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