MolNFT v1 · #52403 · protein
Substrate complex of amycolatopsis orientalis exo-chitosanase csxa E541A with chitosan
2VZV · Exo-beta-D-glucosaminidase: “Substrate complex of amycolatopsis orientalis exo-chitosanase csxa E541A with chitosan”. X-ray diffraction, 1 ligand (GCS), 16 pockets (best druggability 0.79). MolNFT v1 #52403 on GenesisL1: 3D…
- PDB
- 2VZV
- Type
- protein
- Length
- 1,714 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Exo-beta-D-glucosaminidase
- UniProt
- Q56F26
- Ligands
- GCS
- Pockets
- 16 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 19% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Exo-beta-D-glucosaminidase | protein | 857 | 19% helix, 35% strand | Q56F26 |
Ligands and binding sites
- GCS · 2-amino-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1007 | 0.79 | 0.81 | 106 | empty |
| 2 | 428 | 0.74 | 0.84 | 36 | empty |
| 3 | 502 | 0.73 | 0.82 | 35 | empty |
| 4 | 239 | 0.65 | 0.83 | 23 | empty |
| 5 | 276 | 0.64 | 0.81 | 44 | empty |
Interfaces
1 interface between chains.
- A–B · 546 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2VZV · Substrate Complex of Amycolatopsis orientalis exo-chitosanase CsxA E541A with chitosan · the same entry in another collection · chain A against A, TM-score 1.00
- Q56F26 · AlphaFold monomer V2.0 prediction for exo-beta-D-glucosaminidase (Q56F26) · a predicted model of the same protein · chain B 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 Q56F26
- Elsewhere: RCSB PDB 2VZV · PDBe 2VZV · UniProt Q56F26
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