MolNFT v1 · #3112 · protein
Crystal and molecular structures of the complex of alpha-*chymotrypsin with its inhibitor turkey ovomucoid third domain at 1.8 ångströms resolution
1CHO · Alpha-chymotrypsin a: “Crystal and molecular structures of the complex of alpha-*chymotrypsin with its inhibitor turkey ovomucoid…”. X-ray diffraction, 2 pockets (best druggability 0.47). MolNFT v1 #3112 on GenesisL1: 3D structure…
- PDB
- 1CHO
- Type
- protein
- Length
- 291 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-chymotrypsin a; Turkey ovomucoid third domain (OMTKY3)
- EC
- 3.4.21.1
- UniProt
- P00766, P68390
- Pockets
- 2 · best druggability 0.47
Structure
x-ray diffraction · 4 distinct chains · 13% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Alpha-chymotrypsin a (EC 3.4.21.1) | protein | 10 | 0% helix, 0% strand | P00766 |
| F | Alpha-chymotrypsin a (EC 3.4.21.1) | protein | 131 | 2% helix, 37% strand | P00766 |
| G | Alpha-chymotrypsin a (EC 3.4.21.1) | protein | 97 | 26% helix, 39% strand | P00766 |
| I | Turkey ovomucoid third domain (OMTKY3) | protein | 53 | 19% helix, 23% strand | P68390 |
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 178 | 0.47 | 0.75 | 23 | empty |
| 2 | 57 | 0.31 | 0.76 | 24 | empty |
Interfaces
5 interfaces between chains.
- F–G · 2972 Ų buried · 43 hydrogen bonds · protein-protein
- G–I · 525 Ų buried · 10 hydrogen bonds · protein-protein
- E–F · 483 Ų buried · 1 hydrogen bond · protein-protein
- F–I · 374 Ų buried · 3 hydrogen bonds · protein-protein
- E–G · 247 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 1CHO · Crystal and molecular structures of the complex of alpha-*chymotrypsin with its inhibitor… · the same entry in another collection · chain G against G, TM-score 1.00
- P00766 · AlphaFold monomer V2.0 prediction for chymotrypsinogen a (P00766) · a predicted model of the same protein · chain G against A, TM-score 0.98
- P68390 · AlphaFold monomer V2.0 prediction for ovomucoid (P68390) · a predicted model of the same protein · chain I against A, TM-score 0.94
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 P68390
- Elsewhere: RCSB PDB 1CHO · PDBe 1CHO · UniProt P00766 · UniProt P68390
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