MolNFT v1 · #49426 · protein
Crystal structure of the mutant E55Q of the cellulase CEL48F in complex with a thio-oligosaccharide
2QNO · Endoglucanase F: “Crystal structure of the mutant E55Q of the cellulase CEL48F in complex with a thio-oligosaccharide”. X-ray diffraction, 3 ligands (SGC, BGC, CA), 3 pockets (best druggability 0.86). MolNFT v1 #49426 on GenesisL1…
- PDB
- 2QNO
- Type
- protein
- Length
- 629 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoglucanase F
- EC
- 3.2.1.4
- UniProt
- P37698
- Ligands
- SGC, BGC, CA
- Pockets
- 3 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endoglucanase F (EC 3.2.1.4) | protein | 629 | 39% helix, 16% strand | P37698 |
Ligands and binding sites
- SGC · 4-thio-beta-D-glucopyranose · ligand · 5 copies · chains A
- BGC · beta-D-glucopyranose · sugar · 4 copies · chains A
- CA · Calcium ion · metal · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1129 | 0.86 | 0.87 | 98 | SGC, BGC |
| 2 | 51 | 0.41 | 0.82 | 19 | empty |
| 3 | 58 | 0.32 | 0.76 | 13 | empty |
Compared structures
- 2QNO · Crystal Structure of the Mutant E55Q of the Cellulase CEL48F in Complex with a… · the same entry in another collection · chain A against A, TM-score 1.00
- P37698 · AlphaFold monomer V2.0 prediction for endoglucanase F (P37698) · a predicted model of the same protein · 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 P37698
- Elsewhere: RCSB PDB 2QNO · PDBe 2QNO · UniProt P37698
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