MolNFT v1 · #19358 · protein
Endoglucanase CEL5A from bacillus agaradhaerens in the tetragonal crystal form in complex with 2',4'-dinitrophenyl 2-deoxy-2-fluoro-B- D-cellotrioside
1QI2 · Endoglucanase B: “Endoglucanase CEL5A from bacillus agaradhaerens in the tetragonal crystal form in complex with…”. X-ray diffraction, 3 ligands (G2F, BGC, CA), 2 pockets (best druggability 0.42). MolNFT v1 #19358 on GenesisL1: 3D…
- PDB
- 1QI2
- Type
- protein
- Length
- 302 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoglucanase B
- EC
- 3.2.1.4
- UniProt
- P06565
- Ligands
- G2F, BGC, CA
- Pockets
- 2 · best druggability 0.42
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endoglucanase B (EC 3.2.1.4) | protein | 302 | 42% helix, 19% strand | P06565 |
Ligands and binding sites
- G2F · 2-deoxy-2-fluoro-alpha-D-glucopyranose · ligand · chains A
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A
- CA · Calcium ion · metal · 5 copies · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 99 | 0.42 | 0.78 | 18 | G2F, BGC |
| 2 | 100 | 0.36 | 0.74 | 16 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 1QI2 · Endoglucanase CEL5A from bacillus agaradhaerens in the tetragonal crystal form in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- P06565 · AlphaFold monomer V2.0 prediction for endoglucanase B (P06565) · 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 P06565
- Elsewhere: RCSB PDB 1QI2 · PDBe 1QI2 · UniProt P06565
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