Research workbench
Bovine chymotrypsin complexed to appi
Analyse Bovine chymotrypsin complexed to appi in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1CA0
- Type
- protein
- Length
- 586 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bovine chymotrypsin; Protease inhibitor domain of ALZHEIMER'S amyloid beta-protein…
- EC
- 3.4.21.1
- UniProt
- P00766, P05067
- Pockets
- 3 · best druggability 0.40
Structure
x-ray diffraction · 4 distinct chains · 13% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, F | Bovine chymotrypsin (EC 3.4.21.1) | protein | 11 | 0% helix, 0% strand | P00766 |
| B, G | Bovine chymotrypsin (EC 3.4.21.1) | protein | 131 | 2% helix, 37% strand | P00766 |
| C, H | Bovine chymotrypsin (EC 3.4.21.1) | protein | 97 | 24% helix, 39% strand | P00766 |
| D, I | Protease inhibitor domain of ALZHEIMER'S amyloid beta-protein precursor | protein | 54 | 20% helix, 30% strand | P05067 |
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 149 | 0.40 | 0.74 | 27 | empty |
| 2 | 57 | 0.28 | 0.74 | 12 | empty |
| 3 | 53 | 0.26 | 0.73 | 12 | empty |
Interfaces
13 interfaces between chains.
- G–H · 3017 Ų buried · 52 hydrogen bonds · protein-protein
- B–C · 3016 Ų buried · 51 hydrogen bonds · protein-protein
- A–B · 504 Ų buried · 3 hydrogen bonds · protein-protein
- F–G · 503 Ų buried · 1 hydrogen bond · protein-protein
- C–D · 462 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide (disulfide).
Compared structures
- 1CA0 · Bovine chymotrypsin complexed to appi · the same entry in another collection · chain I against I, TM-score 1.00
- P00766 · AlphaFold monomer V2.0 prediction for chymotrypsinogen a (P00766) · a predicted model of the same protein · chain B against A, TM-score 0.98
- P05067 · AlphaFold monomer V2.0 prediction for amyloid-beta precursor protein (P05067) · a predicted model of the same protein · chain D 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 P00766
- Every structure of UniProt P05067
- Elsewhere: RCSB PDB 1CA0 · PDBe 1CA0 · UniProt P00766 · UniProt P05067
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