Research workbench
Bovine chymotrypsin complexed to bpti
Analyse Bovine chymotrypsin complexed to bpti in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1CBW
- Type
- protein
- Length
- 594 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bovine chymotrypsin; Bpti
- EC
- 3.4.21.1
- UniProt
- P00767, P00766, P00974
- Ligands
- SO4
- Pockets
- 6 · best druggability 0.58
Structure
x-ray diffraction · 4 distinct chains · 13% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, F | Bovine chymotrypsin (EC 3.4.21.1) | protein | 11 | 0% helix, 0% strand | P00767 |
| B, G | Bovine chymotrypsin (EC 3.4.21.1) | protein | 131 | 2% helix, 35% strand | P00766 |
| C, H | Bovine chymotrypsin (EC 3.4.21.1) | protein | 97 | 24% helix, 37% strand | P00766 |
| D, I | Bpti | protein | 58 | 21% helix, 28% strand | P00974 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains I
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 293 | 0.58 | 0.77 | 30 | SO4 |
| 2 | 302 | 0.55 | 0.76 | 37 | empty |
| 3 | 228 | 0.53 | 0.77 | 30 | empty |
| 4 | 162 | 0.48 | 0.78 | 28 | empty |
| 5 | 122 | 0.41 | 0.75 | 15 | empty |
Interfaces
15 interfaces between chains.
- B–C · 2962 Ų buried · 50 hydrogen bonds · protein-protein
- G–H · 2947 Ų buried · 44 hydrogen bonds · protein-protein
- A–B · 512 Ų buried · 1 hydrogen bond · protein-protein
- F–G · 496 Ų buried · 1 hydrogen bond · protein-protein
- B–D · 449 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 disulfide (disulfide).
Compared structures
- 1CBW · Bovine chymotrypsin complexed to bpti · the same entry in another collection · chain F against F, TM-score 1.00
- P00766 · AlphaFold monomer V2.0 prediction for chymotrypsinogen a (P00766) · a predicted model of the same protein · chain C against A, TM-score 0.98
- P00974 · AlphaFold monomer V2.0 prediction for pancreatic trypsin inhibitor (P00974) · a predicted model of the same protein · chain D against A, TM-score 0.97
- P00767 · AlphaFold monomer V2.0 prediction for chymotrypsinogen B (P00767) · a predicted model of the same protein · chain A against A, TM-score 0.63
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 P00767
- Every structure of UniProt P00766
- Every structure of UniProt P00974
- Elsewhere: RCSB PDB 1CBW · PDBe 1CBW · UniProt P00767 · UniProt P00766 · UniProt P00974
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