MolNFT v1 · #55570 · protein
Cellobiohydrolase I CEL7A from trichoderma harzianum at 1.7 a resolution
2YOK · Exoglucanase 1: “Cellobiohydrolase I CEL7A from trichoderma harzianum at 1.7 a resolution”. X-ray diffraction, 1 ligand (NAG), 1 pocket (best druggability 0.82). MolNFT v1 #55570 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2YOK
- Type
- protein
- Length
- 426 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Exoglucanase 1
- EC
- 3.2.1.91
- UniProt
- Q9P8P3
- Ligands
- NAG
- Pockets
- 1 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 14% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Exoglucanase 1 (EC 3.2.1.91) | protein | 426 | 14% helix, 36% strand | Q9P8P3 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
- PE4 · 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol · additive · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 946 | 0.82 | 0.84 | 92 | PEG |
Modifications
Observed in the structure: 10 disulfide, 3 glycan, 1 modified (disulfide, N-glycosylation, cyclization).
Compared structures
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 Q9P8P3
- Elsewhere: RCSB PDB 2YOK · PDBe 2YOK · UniProt Q9P8P3
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