Research workbench
The high-resolution X-ray crystal structure of the complex formed between subtilisin carlsberg and eglin C, an elastase inhibitor from the leech hirudo medicinalis. structural analysis, subtilisin structure and interface geometry
Analyse The high-resolution X-ray crystal structure of the complex formed between… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1CSE
- Type
- protein
- Length
- 337 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Subtilisin carlsberg; Eglin C
- EC
- 3.4.21.62
- UniProt
- P00780, P01051
- Ligands
- CA
- Pockets
- 1 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Subtilisin carlsberg (EC 3.4.21.62) | protein | 274 | 31% helix, 20% strand | P00780 |
| I | Eglin C | protein | 63 | 22% helix, 33% strand | P01051 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 289 | 0.66 | 0.82 | 34 | empty |
Interfaces
1 interface between chains.
- E–I · 756 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 1CSE · The high-resolution X-ray crystal structure of the complex formed between subtilisin… · the same entry in another collection · chain E against E, TM-score 1.00
- P00780 · AlphaFold monomer V2.0 prediction for subtilisin carlsberg (P00780) · a predicted model of the same protein · chain E against A, TM-score 1.00
- 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 P00780
- Every structure of UniProt P01051
- Elsewhere: RCSB PDB 1CSE · PDBe 1CSE · UniProt P00780 · UniProt P01051
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