Research workbench
Crystal structure of a chimeric trypsin inhibitor protein STI(L)- WCI(S)
Analyse Crystal structure of a chimeric trypsin inhibitor protein STI(L)- WCI(S) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3I2A
- Type
- protein
- Length
- 360 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chymotrypsin inhibitor 3
- UniProt
- P10822
- Ligands
- CL
- Pockets
- 3 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 4% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Chymotrypsin inhibitor 3 | protein | 180 | 4% helix, 39% strand | P10822 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 265 | 0.56 | 0.77 | 41 | empty |
| 2 | 69 | 0.31 | 0.74 | 16 | empty |
| 3 | 71 | 0.29 | 0.73 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 687 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3I2A · Crystal structure of a chimeric trypsin inhibitor protein STI(L)-WCI(S) · 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 0.95
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 3I2A · PDBe 3I2A · UniProt P10822
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