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MolNFT v1 · #37713 · protein

Crystal structure of YFH7 from saccharomyces cerevisiae: a putative P-loop containing kinase with a circular permutation.

2GA8 · Hypothetical 39.9 kda protein: “Crystal structure of YFH7 from saccharomyces cerevisiae: a putative P-loop containing kinase with a circular…”. X-ray diffraction, 2 ligands (HG, SO4), 2 pockets (best druggability 0.66). MolNFT v1…

PDB
2GA8
Type
protein
Length
329 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical 39.9 kda protein
UniProt
P43591
Ligands
HG, SO4
Pockets
2 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHypothetical 39.9 kda proteinprotein32939% helix, 20% strandP43591

Ligands and binding sites

  • HG · Mercury (II) ion · metal · 4 copies · chains A
  • SO4 · Sulfate ion · ion · 5 copies · chains A
  • BME · Beta-mercaptoethanol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14780.660.7842SO4, HG, BME
2670.330.7616empty

Modifications

Observed in the structure: 3 modified (artifact).

Compared structures

  • 2GA8 · Crystal structure of YFH7 from Saccharomyces cerevisiae: a putative P-loop containing… · the same entry in another collection · chain A against A, TM-score 1.00
  • P43591 · AlphaFold monomer V2.0 prediction for ATP-dependent kinase YFH7 (P43591) · a predicted model of the same protein · chain A against A, TM-score 0.97

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