Research workbench
Crystal structure of human chymotrypsin C (ctrc) bound to inhibitor eglin C from hirudo medicinalis
Analyse Crystal structure of human chymotrypsin C (ctrc) bound to inhibitor eglin C… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4H4F
- Type
- protein
- Length
- 312 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chymotrypsin-C; Eglin C
- EC
- 3.4.21.2
- UniProt
- Q99895, P01051
- Ligands
- PO4
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 11% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chymotrypsin-C (EC 3.4.21.2) | protein | 239 | 8% helix, 38% strand | Q99895 |
| B | Eglin C | protein | 63 | 22% helix, 33% strand | P01051 |
| Q | Chymotrypsin-C (EC 3.4.21.2) | protein | 10 | 0% helix, 0% strand | Q99895 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 144 | 0.69 | 0.89 | 23 | empty |
| 2 | 102 | 0.38 | 0.75 | 20 | empty |
Interfaces
2 interfaces between chains.
- A–B · 941 Ų buried · 12 hydrogen bonds · protein-protein
- A–Q · 647 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 4H4F · Crystal structure of human chymotrypsin C (CTRC) bound to inhibitor eglin c from Hirudo… · the same entry in another collection · chain A against A, TM-score 1.00
- Q99895 · AlphaFold monomer V2.0 prediction for chymotrypsin-C (Q99895) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P01051 · AlphaFold monomer V2.0 prediction for eglin C (P01051) · 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 Q99895
- Every structure of UniProt P01051
- Elsewhere: RCSB PDB 4H4F · PDBe 4H4F · UniProt Q99895 · UniProt P01051
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