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MolNFT v1 · #154723 · protein

Crystal structure of proteinase K complexed with a triglycine

6KKF: “Crystal structure of proteinase K complexed with a triglycine”. X-ray diffraction, 2 ligands (GGG, CA), 1 pocket (best druggability 0.38). MolNFT v1 #154723 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6KKF
Type
protein
Length
278 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
GGG, CA
Pockets
1 · best druggability 0.38

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProteinase K (EC 3.4.21.64)protein27828% helix, 24% strandP06873

Ligands and binding sites

  • GGG · glycylglycylglycine · ligand · chains A
  • CA · Calcium ion · metal · 2 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11130.380.7527GGG

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 6KKF · Crystal structure of proteinase K complexed with a triglycine · the same entry in another collection · chain A against A, TM-score 1.00

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