MolNFT v1 · #83411 · protein
Crystal structure of unautoprocessed form of IS1-inserted pro- subtilisin E
3WHI: “Crystal structure of unautoprocessed form of IS1-inserted pro- subtilisin E”. X-ray diffraction, 1 ligand (CA), 2 pockets (best druggability 0.77). MolNFT v1 #83411 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3WHI
- Type
- protein
- Length
- 710 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
- 2 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Subtilisin E (EC 3.4.21.62) | protein | 355 | 28% helix, 26% strand | P04189 |
| B | Subtilisin E (EC 3.4.21.62) | protein | 355 | 28% helix, 28% strand | P04189 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 662 | 0.77 | 0.82 | 74 | empty |
| 2 | 241 | 0.56 | 0.78 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 816 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
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 3WHI · PDBe 3WHI · UniProt P04189
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