MolNFT v1 · #112920 · protein
Geotrichum candidum CEL7A structure complex with cellobiose at 1.5A
4ZZW · Cellobiohydrolase I: “Geotrichum candidum CEL7A structure complex with cellobiose at 1.5A”. X-ray diffraction, 4 ligands (NAG, BGC, MAN), 1 pocket (best druggability 0.81). MolNFT v1 #112920 on GenesisL1: 3D structure, binding sites…
- PDB
- 4ZZW
- Type
- protein
- Length
- 435 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cellobiohydrolase I
- EC
- 3.2.1.176
- UniProt
- A0A088T0J9
- Ligands
- NAG, BGC, MAN, MG
- Pockets
- 1 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 14% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cellobiohydrolase I (EC 3.2.1.176) | protein | 435 | 14% helix, 36% strand | A0A088T0J9 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A
- MAN · alpha-D-mannopyranose · sugar · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- GOL · Glycerol · additive · 3 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · 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 | 972 | 0.81 | 0.82 | 80 | BGC, GOL, PEG |
Modifications
Observed in the structure: 8 disulfide, 4 glycan, 1 modified (disulfide, N-glycosylation, O-glycosylation, cyclization).
Compared structures
- 4ZZW · Geotrichum candidum Cel7A structure complex with cellobiose at 1.5A · 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 A0A088T0J9
- Elsewhere: RCSB PDB 4ZZW · PDBe 4ZZW · UniProt A0A088T0J9
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