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MolNFT v1 · #191170 · protein

Crystal structure of deinococcus radiodurans endonuclease III-1 R61Q variant

8A5F: “Crystal structure of deinococcus radiodurans endonuclease III-1 R61Q variant”. X-ray diffraction, 2 ligands (SF4, MG), 2 pockets (best druggability 0.49). MolNFT v1 #191170 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
8A5F
Type
protein
Length
237 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endonuclease III
UniProt
Q9RRQ0
Ligands
SF4, MG
Pockets
2 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 64% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEndonuclease IIIprotein23764% helix, 0% strandQ9RRQ0

Ligands and binding sites

  • SF4 · Iron/sulfur cluster · ligand · chains A
  • MG · Magnesium ion · metal · 2 copies · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12080.490.7633empty
2890.380.7617empty

Compared structures

  • 8A5F · Crystal structure of Deinococcus radiodurans Endonuclease III-1 R61Q variant · the same entry in another collection · chain A against A, TM-score 1.00

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