Research workbench
Crystal structure of pro-S324A/L349A
Analyse Crystal structure of pro-S324A/L349A in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3WIU
- Type
- protein
- Length
- 1,176 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tk-subtilisin
- EC
- 3.4.21.-
- UniProt
- P58502
- Ligands
- CA
- Pockets
- 4 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 27% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tk-subtilisin (EC 3.4.21.-) | protein | 395 | 28% helix, 25% strand | P58502 |
| B | Tk-subtilisin (EC 3.4.21.-) | protein | 387 | 27% helix, 24% strand | P58502 |
| C | Tk-subtilisin (EC 3.4.21.-) | protein | 394 | 27% helix, 25% strand | P58502 |
Ligands and binding sites
- CA · Calcium ion · metal · 18 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1074 | 0.83 | 0.84 | 130 | empty |
| 2 | 96 | 0.72 | 0.95 | 29 | empty |
| 3 | 106 | 0.36 | 0.74 | 26 | empty |
| 4 | 118 | 0.35 | 0.73 | 19 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1045 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 936 Ų buried · 9 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 P58502
- Elsewhere: RCSB PDB 3WIU · PDBe 3WIU · UniProt P58502
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