MolNFT v1 · #157861 · protein
Crystal structure of hybrid beta-GLUCURONIDASE/BETA-galacturonidase from fusicatenibacter saccharivorans
6NCY: “Crystal structure of hybrid beta-GLUCURONIDASE/BETA-galacturonidase from fusicatenibacter saccharivorans”. X-ray diffraction, 2 ligands (NI, PO4), 17 pockets (best druggability 0.76). MolNFT v1 #157861 on GenesisL1: 3D structure…
- PDB
- 6NCY
- Type
- protein
- Length
- 1,170 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-glucuronidase
- EC
- 3.2.1.31
- UniProt
- A0A174EHD1
- Ligands
- NI, PO4
- Pockets
- 17 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 22% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Beta-glucuronidase (EC 3.2.1.31) | protein | 585 | 22% helix, 33% strand | A0A174EHD1 |
Ligands and binding sites
- NI · Nickel (II) ion · metal · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · chains B
- GOL · Glycerol · additive · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 927 | 0.76 | 0.80 | 100 | GOL |
| 2 | 65 | 0.73 | 0.99 | 27 | empty |
| 3 | 519 | 0.73 | 0.81 | 43 | GOL |
| 4 | 63 | 0.72 | 0.98 | 26 | empty |
| 5 | 533 | 0.71 | 0.80 | 44 | GOL |
Interfaces
1 interface between chains.
- A–B · 2828 Ų buried · 39 hydrogen bonds · protein-protein
Compared structures
- 6NCY · Crystal structure of hybrid beta-glucuronidase/beta-galacturonidase from Fusicatenibacter… · 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 A0A174EHD1
- Elsewhere: RCSB PDB 6NCY · PDBe 6NCY · UniProt A0A174EHD1
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