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Crystal structure of Staphylococcal nuclease variant Delta+PHS T62K/V66E pH 9 at cryogenic temperature

Analyse Crystal structure of Staphylococcal nuclease variant Delta+PHS T62K/V66E pH 9… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5KYI
Type
protein
Length
129 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.7
Source
Staphylococcus aureus
Molecule
Thermonuclease
EC
3.1.31.1
UniProt
P00644
Ligands
THP, CA
Pockets
1 · best druggability 0.45

Structure

x-ray diffraction · resolution 1.7 · 1 distinct chain · 29% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AThermonuclease (EC 3.1.31.1)protein12929% helix, 32% strandP00644

Ligands and binding sites

  • THP · Thymidine-3',5'-diphosphate · ligand · chains A
  • CA · Calcium ion · metal · 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
1800.450.8014THP

Compared structures

  • 5KYI · Crystal structure of staphylococcal nuclease variant DELTA+PHS T62K/V66E pH 9 at… · the same entry in another collection · chain A against A, TM-score 1.00

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