Research workbench
Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates peptide analysis
Analyse Insight into subtilisin E-S7 cleavage pattern based on crystal structure and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6PAK
- Type
- protein
- Length
- 554 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Subtilisin E
- EC
- 3.4.21.62
- UniProt
- P04189
- Ligands
- CA
- Pockets
- 3 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Subtilisin E (EC 3.4.21.62) | protein | 277 | 30% helix, 19% strand | P04189 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 306 | 0.63 | 0.80 | 32 | empty |
| 2 | 390 | 0.60 | 0.76 | 38 | empty |
| 3 | 61 | 0.31 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 409 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 6PAK · Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates… · the same entry in another collection · chain A against A, TM-score 1.00
- P04189 · AlphaFold monomer V2.0 prediction for subtilisin E (P04189) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P04189
- Elsewhere: RCSB PDB 6PAK · PDBe 6PAK · UniProt P04189
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