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Preserving metallic sites affected by radiation damage the CUT2 ccase in thermus thermophilus multicopper oxidase

Analyse Preserving metallic sites affected by radiation damage the CUT2 ccase in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5G3D
Type
protein
Length
439 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Thermus thermophilus multicopper oxidase
EC
1.10.3.2
UniProt
I7AL37
Ligands
CU, NA
Pockets
5 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AThermus thermophilus multicopper oxidase (EC 1.10.3.2)protein4396% helix, 49% strandI7AL37

Ligands and binding sites

  • CU · Copper (II) ion · metal · 3 copies · chains A
  • NA · Sodium ion · metal · chains A
  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · 6 copies · chains A
  • MRD · (4R)-2-methylpentane-2,4-diol · additive · 5 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13050.610.7928MRD, MPD
21330.440.7626MPD, MRD
3990.400.7723empty
4600.360.7811empty
5680.320.7517empty

Compared structures

  • 5G3D · preserving Metallic Sites Affected by Radiation Damage the CuT2 cCase in Thermus… · the same entry in another collection · chain A against A, TM-score 1.00

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