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MolNFT v1 · #74310 · protein

Crystal structure of the complex of proteinase K with an antimicrobial nonapeptide, at 2.26 a resolution

3OSZ: “Crystal structure of the complex of proteinase K with an antimicrobial nonapeptide, at 2.26 a resolution”. X-ray diffraction, 2 ligands (CA, NO3), 1 pocket (best druggability 0.46). MolNFT v1 #74310 on GenesisL1: 3D structure…

PDB
3OSZ
Type
protein
Length
289 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Proteinase K; 10-mer peptide
EC
3.4.21.64
UniProt
P06873
Ligands
CA, NO3
Pockets
1 · best druggability 0.46

Structure

x-ray diffraction · 2 distinct chains · 26% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProteinase K (EC 3.4.21.64)protein27927% helix, 24% strandP06873
B10-mer peptideprotein100% helix, 0% strand—

Ligands and binding sites

  • CA · Calcium ion · metal · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11010.460.8019empty

Interfaces

1 interface between chains.

  • A–B · 561 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 3OSZ · Crystal Structure of the complex of proteinase K with an antimicrobial nonapeptide, at… · the same entry in another collection · chain A against A, TM-score 1.00

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