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MolNFT v1 · #62572 · protein

Crystal structure of staphylococcal nuclease variant DELTA+PHS L36K at cryogenic temperature

3EJI · Thermonuclease: “Crystal structure of staphylococcal nuclease variant DELTA+PHS L36K at cryogenic temperature”. X-ray diffraction, 1 ligand (PO4), 1 pocket (best druggability 0.38). MolNFT v1 #62572 on GenesisL1: 3D structure…

PDB
3EJI
Type
protein
Length
130 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Thermonuclease
EC
3.1.31.1
UniProt
Q6GIK1
Ligands
PO4
Pockets
1 · best druggability 0.38

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AThermonuclease (EC 3.1.31.1)protein13028% helix, 31% strandQ6GIK1

Ligands and binding sites

  • PO4 · Phosphate ion · ion · chains A
  • MPD · (4S)-2-methyl-2,4-pentanediol · 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
1750.380.7815empty

Compared structures

  • 3EJI · Crystal structure of Staphylococcal nuclease variant Delta+PHS L36K at cryogenic… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q6GIK1 · AlphaFold monomer V2.0 prediction for thermonuclease (Q6GIK1) · a predicted model of the same protein · chain A against A, TM-score 0.98

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