MolNFT v1 · #25716 · protein
Endoglucanase CEL5A from bacillus agaradhaerens in complex with cellotri derived-tetrahydrooxazine
1W3L · Endoglucanase 5A: “Endoglucanase CEL5A from bacillus agaradhaerens in complex with cellotri derived-tetrahydrooxazine”. X-ray diffraction, 3 ligands (OXZ, BGC, SO4), 1 pocket (best druggability 0.45). MolNFT v1 #25716 on GenesisL1…
- PDB
- 1W3L
- Type
- protein
- Length
- 300 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoglucanase 5A
- EC
- 3.2.1.4
- UniProt
- O85465
- Ligands
- OXZ, BGC, SO4
- Pockets
- 1 · best druggability 0.45
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endoglucanase 5A (EC 3.2.1.4) | protein | 300 | 40% helix, 19% strand | O85465 |
Ligands and binding sites
- OXZ · Tetrahydrooxazine · ligand · chains A
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A
- SO4 · Sulfate ion · ion · chains A
- GOL · Glycerol · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 128 | 0.45 | 0.77 | 23 | BGC, OXZ |
Compared structures
- 1W3L · Endoglucanase CEL5A from bacillus agaradhaerens in complex with cellotri… · the same entry in another collection · chain A against A, TM-score 1.00
- O85465 · AlphaFold monomer V2.0 prediction for endoglucanase 5A (O85465) · 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 O85465
- Elsewhere: RCSB PDB 1W3L · PDBe 1W3L · UniProt O85465
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