Research workbench
Three-dimensional structure of the complexes between bovine CHYMOTRYPSINOGEN*A and two recombinant variants of human pancreatic secretory trypsin inhibitor (kazal-type)
Analyse Three-dimensional structure of the complexes between bovine CHYMOTRYPSINOGEN*A… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1CGJ
- Type
- protein
- Length
- 301 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-chymotrypsinogen; Pancreatic secretory trypsin inhibitor (kazal type) variant 4
- UniProt
- P00766, P00995
- Pockets
- 1 · best druggability 0.28
Structure
x-ray diffraction · 2 distinct chains · 11% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Alpha-chymotrypsinogen | protein | 245 | 9% helix, 34% strand | P00766 |
| I | Pancreatic secretory trypsin inhibitor (kazal type) variant 4 | protein | 56 | 18% helix, 20% strand | P00995 |
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 | 62 | 0.28 | 0.74 | 17 | empty |
Interfaces
1 interface between chains.
- E–I · 1030 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 1CGJ · Three-dimensional structure of the complexes between bovine CHYMOTRYPSINOGEN*A and two… · the same entry in another collection · chain E against E, TM-score 1.00
- P00766 · AlphaFold monomer V2.0 prediction for chymotrypsinogen a (P00766) · a predicted model of the same protein · chain E against A, TM-score 0.98
- P00995 · AlphaFold monomer V2.0 prediction for serine protease inhibitor kazal-type 1 (P00995) · a predicted model of the same protein · chain I against A, TM-score 0.90
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 P00766
- Every structure of UniProt P00995
- Elsewhere: RCSB PDB 1CGJ · PDBe 1CGJ · UniProt P00766 · UniProt P00995
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