MolNFT v1 · #113836 · protein
Cooperative bio-metallic selectivity in a tailored protease enables creation of a C-C cross-coupling heckase
5ARC · Subtilisin savinase: “Cooperative bio-metallic selectivity in a tailored protease enables creation of a C-C cross-coupling heckase”. X-ray diffraction, 3 ligands (EI3, CA, SO4), 1 pocket (best druggability 0.32). MolNFT v1 #113836…
- PDB
- 5ARC
- Type
- protein
- Length
- 269 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Subtilisin savinase
- EC
- 3.4.21.62
- UniProt
- P29600
- Ligands
- EI3, CA, SO4
- Pockets
- 1 · best druggability 0.32
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Subtilisin savinase (EC 3.4.21.62) | protein | 269 | 30% helix, 21% strand | P29600 |
Ligands and binding sites
- EI3 · 5-methyl-2-(5-methylpyridin-2-yl)pyridine · ligand · chains A
- CA · Calcium ion · metal · chains A
- SO4 · Sulfate ion · ion · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 78 | 0.32 | 0.75 | 27 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 5ARC · Cooperative bio-metallic selectivity in a tailored protease enables creation of a C-C… · the same entry in another collection · chain A against A, TM-score 1.00
- P29600 · AlphaFold monomer V2.0 prediction for subtilisin savinase (P29600) · a predicted model of the same protein · chain A against A, TM-score 1.00
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 P29600
- Elsewhere: RCSB PDB 5ARC · PDBe 5ARC · UniProt P29600
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