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Single-shot pink beam serial crystallography: proteinase K

Analyse Single-shot pink beam serial crystallography: proteinase K in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5MJL
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
CA, CL
Pockets
1 · best druggability 0.33

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProteinase K (EC 3.4.21.64)protein27927% helix, 23% strandP06873

Ligands and binding sites

  • CA · Calcium ion · metal · chains A
  • CL · Chloride ion · ion · chains A
  • NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · chains A
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 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
1710.330.7621empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 5MJL · Single-shot pink beam serial crystallography: Proteinase K · the same entry in another collection · chain A against A, TM-score 1.00

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