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MolNFT v1 · #111366 · protein

Crystal structure of a trimeric exonuclease phoexo I from pyrococcus horikoshii OT3 at 1.52A resolution.

4YOR · 3-5 exonuclease phoexo I: “Crystal structure of a trimeric exonuclease phoexo I from pyrococcus horikoshii OT3 at 1.52A resolution.”. X-ray diffraction, 1 ligand (MG), 5 pockets (best druggability 0.57). MolNFT v1 #111366 on…

PDB
4YOR
Type
protein
Length
449 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
3-5 exonuclease phoexo I
UniProt
A0A060P168
Ligands
MG
Pockets
5 · best druggability 0.57

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A3-5 exonuclease phoexo Iprotein22738% helix, 34% strandA0A060P168
B3-5 exonuclease phoexo Iprotein22238% helix, 35% strandA0A060P168

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains A, B

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
13400.570.7638MG
21800.460.7525empty
31130.380.7423empty
4610.330.7617empty
5580.250.7213empty

Interfaces

1 interface between chains.

  • A–B · 305 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 4YOR · Crystal structure of a trimeric exonuclease PhoExo I from Pyrococcus horikoshii OT3 at… · the same entry in another collection · chain A against A, TM-score 1.00

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