Research workbench
Crystal and molecular structure of the bovine alpha-chymotrypsin-eglin C complex at 2.0 ångströms resolution
Analyse Crystal and molecular structure of the bovine alpha-chymotrypsin-eglin C… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1ACB
- Type
- protein
- Length
- 304 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-chymotrypsin; Eglin C
- EC
- 3.4.21.1
- UniProt
- P00766, P01051
- Pockets
- 3 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 13% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Alpha-chymotrypsin (EC 3.4.21.1) | protein | 241 | 11% helix, 37% strand | P00766 |
| I | Eglin C | protein | 63 | 22% helix, 35% strand | P01051 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 75 | 0.57 | 0.88 | 20 | empty |
| 2 | 121 | 0.40 | 0.75 | 21 | empty |
| 3 | 63 | 0.29 | 0.74 | 20 | empty |
Interfaces
1 interface between chains.
- E–I · 795 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 1ACB · Crystal and molecular structure of the bovine alpha-chymotrypsin-eglin C complex at 2.0… · 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 0.99
- P01051 · AlphaFold monomer V2.0 prediction for eglin C (P01051) · a predicted model of the same protein · chain I against A, TM-score 0.98
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 P01051
- Elsewhere: RCSB PDB 1ACB · PDBe 1ACB · UniProt P00766 · UniProt P01051
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