MolNFT v1 · #52792 · protein
Refined crystal structure (2.3 ångström) of a winged bean chymotrypsin inhibitor and location of its second reactive site
2WBC: “Refined crystal structure (2.3 ångström) of a winged bean chymotrypsin inhibitor and location of its second…”. X-ray diffraction, 2 pockets (best druggability 0.34). MolNFT v1 #52792 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2WBC
- Type
- protein
- Length
- 183 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chymotrypsin inhibitor
- UniProt
- P10822
- Pockets
- 2 · best druggability 0.34
Structure
x-ray diffraction · 1 distinct chain · 3% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chymotrypsin inhibitor | protein | 183 | 3% helix, 39% strand | P10822 |
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 | 67 | 0.34 | 0.76 | 24 | empty |
| 2 | 62 | 0.28 | 0.73 | 16 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2WBC · Refined crystal structure (2.3 ångström) of a winged bean chymotrypsin inhibitor and… · 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 0.94
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 2WBC · PDBe 2WBC · UniProt P10822
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