MolNFT v1 · #48535 · protein
Crystal structure of the complex of proteinase K with coumarin at 1.9 a resolution
2PWB: “Crystal structure of the complex of proteinase K with coumarin at 1.9 a resolution”. X-ray diffraction, 3 ligands (COU, CA, NO3), 1 pocket (best druggability 0.35). MolNFT v1 #48535 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2PWB
- Type
- protein
- Length
- 279 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proteinase K
- EC
- 3.4.21.64
- UniProt
- P06873
- Ligands
- COU, CA, NO3
- Pockets
- 1 · best druggability 0.35
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Proteinase K (EC 3.4.21.64) | protein | 279 | 27% helix, 24% strand | P06873 |
Ligands and binding sites
- COU · Coumarin · ligand · chains A
- CA · Calcium ion · metal · 2 copies · chains A
- NO3 · Nitrate ion · ion · 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 | 77 | 0.35 | 0.76 | 22 | COU |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2PWB · Crystal structure of the complex of proteinase K with coumarin at 1.9 A resolution · the same entry in another collection · 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 P06873
- Elsewhere: RCSB PDB 2PWB · PDBe 2PWB · UniProt P06873
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