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MolNFT v1 · #119756 · protein + DNA

Structure of the argonaute protein from methanocaldcoccus janaschii in complex with guide DNA

5G5T: “Structure of the argonaute protein from methanocaldcoccus janaschii in complex with guide DNA”. X-ray diffraction, 2 ligands (MG, SO4), 9 pockets (best druggability 0.62). MolNFT v1 #119756 on GenesisL1: 3D structure, binding sites…

PDB
5G5T
Type
protein + DNA
Length
678 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Argonaute; Guide DNA
UniProt
Q58717
Ligands
MG, SO4
Pockets
9 · best druggability 0.62

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AArgonauteprotein67030% helix, 30% strandQ58717
DGuide DNAdna8——

Ligands and binding sites

  • MG · Magnesium ion · metal · chains A, D
  • SO4 · Sulfate ion · ion · 7 copies · chains A

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

Pockets

9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12300.620.8135SO4
25050.610.7556empty
33100.600.7826empty
41110.510.8118empty
5640.450.8218empty

Interfaces

1 interface between chains.

  • A–D · 1192 Ų buried · 35 hydrogen bonds · protein-nucleic

Compared structures

  • 5G5T · Structure of the Argonaute protein from Methanocaldcoccus janaschii in complex with guide… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q58717 · AlphaFold monomer V2.0 prediction for protein argonaute (Q58717) · a predicted model of the same protein · chain A against A, TM-score 0.91

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