MolNFT v1 · #112915 · protein
Dictyostelium purpureum cellobiohydrolase CEL7A apo structure
4ZZP · Cellulose 1,4-beta-cellobiosidase: “Dictyostelium purpureum cellobiohydrolase CEL7A apo structure”. X-ray diffraction, 1 ligand (NAG), 5 pockets (best druggability 0.83). MolNFT v1 #112915 on GenesisL1: 3D structure, binding sites…
- PDB
- 4ZZP
- Type
- protein
- Length
- 874 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cellulose 1,4-beta-cellobiosidase
- EC
- 3.2.1.176
- UniProt
- F0ZJZ1
- Ligands
- NAG
- Pockets
- 5 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 11% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Cellulose 1,4-beta-cellobiosidase (EC 3.2.1.176) | protein | 437 | 11% helix, 35% strand | F0ZJZ1 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 934 | 0.83 | 0.84 | 79 | empty |
| 2 | 953 | 0.82 | 0.83 | 81 | empty |
| 3 | 243 | 0.63 | 0.82 | 41 | empty |
| 4 | 68 | 0.29 | 0.73 | 14 | empty |
| 5 | 54 | 0.28 | 0.74 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 302 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 18 disulfide, 3 glycan, 2 modified (disulfide, N-glycosylation, cyclization).
Compared structures
- 4ZZP · Dictyostelium purpureum cellobiohydrolase Cel7A apo structure · 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 F0ZJZ1
- Elsewhere: RCSB PDB 4ZZP · PDBe 4ZZP · UniProt F0ZJZ1
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.