MolNFT v2 · #16584 · protein
Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
1O35 · Beta-trypsin: “Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease…”. X-ray diffraction at 1.41, 3 ligands (802, CA, SO4), 1 pocket (best druggability 0.33). MolNFT v2 #16584 on…
- PDB
- 1O35
- Type
- protein
- Length
- 223 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.41
- Source
- Bos taurus
- Molecule
- Beta-trypsin
- EC
- 3.4.21.4
- UniProt
- P00760
- Ligands
- 802, CA, SO4
- Pockets
- 1 · best druggability 0.33
Structure
x-ray diffraction · resolution 1.41 · 1 distinct chain · 10% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Beta-trypsin (EC 3.4.21.4) | protein | 223 | 10% helix, 34% strand | P00760 |
Ligands and binding sites
- 802 · 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}-4-fluorobenzenolate · ligand · chains A
- CA · Calcium ion · metal · chains A
- SO4 · Sulfate ion · ion · 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 | 56 | 0.33 | 0.78 | 17 | 802 |
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 1O35 · Elaborate manifold of short hydrogen bond arrays mediating binding of active… · the same entry in another collection · 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 P00760
- Elsewhere: RCSB PDB 1O35 · PDBe 1O35 · UniProt P00760
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.