Research workbench
2.13 a structure of a kunitz-type winged bean chymotrypsin inhibitor protein
Analyse 2.13 a structure of a kunitz-type winged bean chymotrypsin inhibitor protein in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4WBC
- Type
- protein
- Length
- 179 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.138
- Source
- Psophocarpus tetragonolobus
- Molecule
- Protein (chymotrypsin inhibitor)
- UniProt
- P10822
- Ligands
- SO4
- Pockets
- 1 · best druggability 0.27
Structure
x-ray diffraction · resolution 2.138 · 1 distinct chain · 3% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (chymotrypsin inhibitor) | protein | 179 | 3% helix, 39% strand | P10822 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 5 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 | 54 | 0.27 | 0.74 | 13 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4WBC · 2.13 a structure of a kunitz-type winged bean chymotrypsin inhibitor protein · the same entry in another collection · chain A against A, TM-score 1.00
- P10822 · AlphaFold monomer V2.0 prediction for chymotrypsin inhibitor 3 (P10822) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P10822
- Elsewhere: RCSB PDB 4WBC · PDBe 4WBC · UniProt P10822
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