MolNFT v1 · #122943 · protein
Alpha-chymotrypsin from bovine pancreas in complex with bowman-birk inhibitor from soybean
5J4Q · Chymotrypsinogen a: “Alpha-chymotrypsin from bovine pancreas in complex with bowman-birk inhibitor from soybean”. X-ray diffraction, 2 pockets (best druggability 0.65). MolNFT v1 #122943 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5J4Q
- Type
- protein
- Length
- 305 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chymotrypsinogen a; Bowman-birk type proteinase inhibitor
- EC
- 3.4.21.1
- UniProt
- P00766, P01055
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 9% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chymotrypsinogen a (EC 3.4.21.1) | protein | 241 | 11% helix, 37% strand | P00766 |
| B | Bowman-birk type proteinase inhibitor | protein | 64 | 0% helix, 31% strand | P01055 |
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 69 | 0.65 | 0.93 | 23 | empty |
| 2 | 58 | 0.29 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 805 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 5J4Q · alpha-chymotrypsin from bovine pancreas in complex with Bowman-Birk inhibitor from soybean · the same entry in another collection · chain A against A, TM-score 1.00
- P00766 · AlphaFold monomer V2.0 prediction for chymotrypsinogen a (P00766) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P01055 · AlphaFold monomer V2.0 prediction for bowman-birk type proteinase inhibitor (P01055) · a predicted model of the same protein · chain B against A, TM-score 0.78
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 P01055
- Elsewhere: RCSB PDB 5J4Q · PDBe 5J4Q · UniProt P00766 · UniProt P01055
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