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MolNFT v1 · #70774 · protein

Crystal structure of mid domain from HAGO2 in complex with gmp

3LUH · Protein argonaute-2: “Crystal structure of mid domain from HAGO2 in complex with gmp”. X-ray diffraction, 2 ligands (5GP, PO4), 3 pockets (best druggability 0.42). MolNFT v1 #70774 on GenesisL1: 3D structure, binding sites and…

PDB
3LUH
Type
protein
Length
399 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein argonaute-2
UniProt
Q9UKV8
Ligands
5GP, PO4
Pockets
3 · best druggability 0.42

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CProtein argonaute-2protein13349% helix, 17% strandQ9UKV8

Ligands and binding sites

  • 5GP · Guanosine-5'-monophosphate · ligand · 3 copies · chains A, B
  • PO4 · Phosphate ion · ion · chains C

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

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11020.420.7818empty
2930.370.7624empty
3500.300.7613empty

Interfaces

2 interfaces between chains.

  • B–C · 742 Ų buried · 3 hydrogen bonds · protein-protein
  • A–B · 710 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 3LUH · Crystal structure of MID domain from hAGO2 in complex with GMP · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UKV8 · AlphaFold monomer V2.0 prediction for protein argonaute-2 (Q9UKV8) · a predicted model of the same protein · chain A against A, TM-score 0.96

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