MolNFT v1 · #8611 · protein
Thiopentasaccharide complex of the endoglucanase CEL5A from bacillus agaradharens at 1.1 a resolution in the tetragonal crystal form
1H5V · Endoglucanase 5A: “Thiopentasaccharide complex of the endoglucanase CEL5A from bacillus agaradharens at 1.1 a resolution in the…”. X-ray diffraction, 6 ligands (SGC, MA3, SSG), 2 pockets (best druggability 0.44). MolNFT v1 #8611 on…
- PDB
- 1H5V
- 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
- SGC, MA3, SSG, GLC, CA, NA
- Pockets
- 2 · best druggability 0.44
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endoglucanase 5A (EC 3.2.1.4) | protein | 301 | 42% helix, 19% strand | O85465 |
Ligands and binding sites
- SGC · 4-thio-beta-D-glucopyranose · ligand · 2 copies · chains A
- MA3 · methyl 4-thio-alpha-D-glucopyranoside · ligand · chains A
- SSG · 1,4-dithio-beta-D-glucopyranose · ligand · chains A
- GLC · alpha-D-glucopyranose · sugar · chains A
- CA · Calcium ion · metal · 10 copies · chains A
- NA · Sodium ion · metal · 2 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 | 135 | 0.44 | 0.76 | 25 | SGC, SSG |
| 2 | 68 | 0.30 | 0.74 | 16 | empty |
Compared structures
- 1H5V · Thiopentasaccharide complex of the endoglucanase Cel5A from Bacillus agaradharens at 1.1… · 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 0.99
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 1H5V · PDBe 1H5V · UniProt O85465
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