MolNFT v1 · #104688 · protein
Cellobiose dehydrogenase from myriococcum thermophilum, mtcdh
4QI6: “Cellobiose dehydrogenase from myriococcum thermophilum, mtcdh”. X-ray diffraction, 4 ligands (HEM, FAD, MAN), 3 pockets (best druggability 0.88). MolNFT v1 #104688 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4QI6
- Type
- protein
- Length
- 800 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cellobiose dehydrogenase
- UniProt
- A9XK88
- Ligands
- HEM, FAD, MAN, NAG
- Pockets
- 3 · best druggability 0.88
Structure
x-ray diffraction · 1 distinct chain · 20% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cellobiose dehydrogenase | protein | 800 | 20% helix, 28% strand | A9XK88 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- MAN · alpha-D-mannopyranose · sugar · 5 copies · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1171 | 0.88 | 0.89 | 131 | HEM, FAD |
| 2 | 250 | 0.62 | 0.81 | 40 | empty |
| 3 | 118 | 0.45 | 0.78 | 17 | empty |
Modifications
Observed in the structure: 9 glycan, 5 disulfide, 1 modified (disulfide, O-glycosylation, N-glycosylation, cyclization).
Compared structures
- 4QI6 · Cellobiose dehydrogenase from Myriococcum thermophilum, MtCDH · 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 A9XK88
- Elsewhere: RCSB PDB 4QI6 · PDBe 4QI6 · UniProt A9XK88
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