MolNFT v1 · #33299 · protein
Bovine chymotrypsinogen a. X-ray crystal structure analysis and refinement of a new crystal form at 1.8 ångströms resolution
2CGA: “Bovine chymotrypsinogen a. X-ray crystal structure analysis and refinement of a new crystal form at 1.8…”. X-ray diffraction, 5 pockets (best druggability 0.66). MolNFT v1 #33299 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2CGA
- Type
- protein
- Length
- 490 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chymotrypsinogen a
- UniProt
- P00766
- Pockets
- 5 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 14% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Chymotrypsinogen a | protein | 245 | 14% helix, 35% strand | P00766 |
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 336 | 0.66 | 0.81 | 41 | empty |
| 2 | 77 | 0.49 | 0.84 | 21 | empty |
| 3 | 124 | 0.47 | 0.79 | 29 | empty |
| 4 | 174 | 0.46 | 0.75 | 27 | empty |
| 5 | 92 | 0.37 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 570 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 2CGA · Bovine chymotrypsinogen a. X-ray crystal structure analysis and refinement of a new… · 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 B against A, TM-score 0.96
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
- Elsewhere: RCSB PDB 2CGA · PDBe 2CGA · UniProt P00766
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