Research workbench
Crystal structure of asn to gln mutant of winged bean chymotrypsin inhibitor protein
Analyse Crystal structure of asn to gln mutant of winged bean chymotrypsin inhibitor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2ESU
- Type
- protein
- Length
- 173 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chymotrypsin inhibitor 3
- UniProt
- P10822
- Ligands
- NI, SO4
- Pockets
- 2 · best druggability 0.28
Structure
x-ray diffraction · 1 distinct chain · 3% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chymotrypsin inhibitor 3 | protein | 173 | 3% helix, 42% strand | P10822 |
Ligands and binding sites
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 | 52 | 0.28 | 0.75 | 11 | empty |
| 2 | 54 | 0.27 | 0.74 | 14 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2ESU · Crystal structure of Asn to Gln mutant of 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 0.97
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 2ESU · PDBe 2ESU · UniProt P10822
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