MolNFT v1 · #116482 · protein
Crystal structure of acmnpv chitinase a
5DEZ · Ac-chia: “Crystal structure of acmnpv chitinase a”. X-ray diffraction, 3 ligands (NAG, CL, SO4), 8 pockets (best druggability 0.80). MolNFT v1 #116482 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5DEZ
- Type
- protein
- Length
- 1,056 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ac-chia
- EC
- 3.2.1.14
- UniProt
- Q70SQ1
- Ligands
- NAG, CL, SO4
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Ac-chia (EC 3.2.1.14) | protein | 528 | 29% helix, 27% strand | Q70SQ1 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 11 copies · chains A, B
- CL · Chloride ion · ion · 3 copies · chains A, B
- SO4 · Sulfate ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1021 | 0.80 | 0.81 | 100 | NAG |
| 2 | 448 | 0.72 | 0.83 | 52 | NAG |
| 3 | 507 | 0.70 | 0.79 | 50 | NAG |
| 4 | 518 | 0.68 | 0.78 | 57 | NAG |
| 5 | 159 | 0.41 | 0.74 | 26 | NAG |
Interfaces
1 interface between chains.
- A–B · 1279 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 5DEZ · Crystal structure of AcMNPV Chitinase A · 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 Q70SQ1
- Elsewhere: RCSB PDB 5DEZ · PDBe 5DEZ · UniProt Q70SQ1
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.