MolNFT v1 · #51299 · protein
Family 5 endoglucanase CEL5A from bacillus agaradhaerens in complex with cellobio-derived noeuromycin
2V38 · Endoglucanase 5A: “Family 5 endoglucanase CEL5A from bacillus agaradhaerens in complex with cellobio-derived noeuromycin”. X-ray diffraction, 3 ligands (IFL, IDR, SO4), 2 pockets (best druggability 0.46). MolNFT v1 #51299 on…
- PDB
- 2V38
- Type
- protein
- Length
- 301 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
- IFL, IDR, SO4
- Pockets
- 2 · best druggability 0.46
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endoglucanase 5A (EC 3.2.1.4) | protein | 301 | 41% helix, 20% strand | O85465 |
Ligands and binding sites
- IFL · (3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-one · ligand · chains A
- IDR · alpha-L-idopyranuronic acid · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
- GOL · Glycerol · additive · 3 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 | 123 | 0.46 | 0.78 | 22 | GOL, IFL, IDR |
| 2 | 54 | 0.30 | 0.76 | 18 | empty |
Compared structures
- 2V38 · Family 5 endoglucanase Cel5A from Bacillus agaradhaerens in complex with cellobio-derived… · 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 2V38 · PDBe 2V38 · UniProt O85465
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