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MolNFT v1 · #66854 · protein

Proteinase K by lb nanotemplate method after high X-ray dose on ID14-2 beamline at esrf

3I34: “Proteinase K by lb nanotemplate method after high X-ray dose on ID14-2 beamline at esrf”. X-ray diffraction, 2 ligands (HG, CA), 1 pocket (best druggability 0.34). MolNFT v1 #66854 on GenesisL1: 3D structure, binding sites and…

PDB
3I34
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
HG, CA
Pockets
1 · best druggability 0.34

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
XProteinase K (EC 3.4.21.64)protein27927% helix, 24% strandP06873

Ligands and binding sites

  • HG · Mercury (II) ion · metal · 2 copies · chains X
  • CA · Calcium ion · metal · chains X

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
1850.340.7522empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 3I34 · Proteinase K by LB Nanotemplate Method after high X-Ray dose on ID14-2 Beamline at ESRF · the same entry in another collection · chain X against X, TM-score 1.00

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