MolNFT v1 · #53443 · protein
Crystallographic analysis of counter-ion effects on subtilisin enzymatic action in acetonitrile
2WUV · Subtilisin carlsberg: “Crystallographic analysis of counter-ion effects on subtilisin enzymatic action in acetonitrile”. X-ray diffraction, 5 ligands (CCN, CS, CA), 1 pocket (best druggability 0.31). MolNFT v1 #53443 on GenesisL1…
- PDB
- 2WUV
- Type
- protein
- Length
- 274 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Subtilisin carlsberg
- EC
- 3.4.21.62
- UniProt
- P00780
- Ligands
- CCN, CS, CA, NA, CL
- Pockets
- 1 · best druggability 0.31
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Subtilisin carlsberg (EC 3.4.21.62) | protein | 274 | 30% helix, 20% strand | P00780 |
Ligands and binding sites
- CCN · Acetonitrile · ligand · 5 copies · chains A
- CS · Cesium ion · metal · 11 copies · chains A
- CA · Calcium ion · metal · chains A
- NA · Sodium ion · metal · chains A
- CL · Chloride ion · ion · 8 copies · 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 | 56 | 0.31 | 0.76 | 18 | CCN |
Compared structures
- 2WUV · Crystallographic analysis of counter-ion effects on subtilisin enzymatic action in… · the same entry in another collection · chain A against A, TM-score 1.00
- P00780 · AlphaFold monomer V2.0 prediction for subtilisin carlsberg (P00780) · 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 P00780
- Elsewhere: RCSB PDB 2WUV · PDBe 2WUV · UniProt P00780
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