MolNFT v1 · #96434 · protein
The structure of T. fusca GH48 D224N mutant
4JJJ · Cellulose 1,4-beta-cellobiosidase: “The structure of T. fusca GH48 D224N mutant”. X-ray diffraction, 6 ligands (BGC, GLC, ZN), 2 pockets (best druggability 0.85). MolNFT v1 #96434 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4JJJ
- Type
- protein
- Length
- 636 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cellulose 1,4-beta-cellobiosidase
- EC
- 3.2.1.91
- UniProt
- Q47NH7
- Ligands
- BGC, GLC, ZN, CA, FE, NA
- Pockets
- 2 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cellulose 1,4-beta-cellobiosidase (EC 3.2.1.91) | protein | 636 | 39% helix, 15% strand | Q47NH7 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 9 copies · chains A
- GLC · alpha-D-glucopyranose · sugar · chains A
- ZN · Zinc ion · metal · 21 copies · chains A
- CA · Calcium ion · metal · 4 copies · chains A
- FE · Fe (III) ion · metal · 4 copies · chains A
- NA · Sodium ion · metal · 3 copies · chains A
- ACT · Acetate ion · additive · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1164 | 0.85 | 0.85 | 111 | BGC, GLC |
| 2 | 54 | 0.48 | 0.85 | 21 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4JJJ · The structure of T. fusca GH48 D224N mutant · 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 Q47NH7
- Elsewhere: RCSB PDB 4JJJ · PDBe 4JJJ · UniProt Q47NH7
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