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MolNFT v1 · #154931 · protein + RNA

Crystal structure of drosophila piwi

6KR6 · Protein piwi: “Crystal structure of drosophila piwi”. X-ray diffraction, 2 ligands (ZN, HG), 5 pockets (best druggability 0.58). MolNFT v1 #154931 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6KR6
Type
protein + RNA
Length
717 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein piwi; Pirna
EC
3.1.26.-
UniProt
Q9VKM1
Ligands
ZN, HG
Pockets
5 · best druggability 0.58

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein piwi (EC 3.1.26.-)protein71333% helix, 29% strandQ9VKM1
BPirnarna4——

Ligands and binding sites

  • ZN · Zinc ion · metal · 8 copies · chains A, B
  • HG · Mercury (II) ion · metal · 6 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, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13930.580.7556HG
22070.540.7838empty
32180.510.7717empty
41000.370.7423empty
5720.320.7420empty

Interfaces

1 interface between chains.

  • A–B · 602 Ų buried · 21 hydrogen bonds · protein-nucleic

Compared structures

  • 6KR6 · Crystal structure of Drosophila Piwi · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9VKM1 · AlphaFold monomer V2.0 prediction for protein piwi (Q9VKM1) · a predicted model of the same protein · chain A against A, TM-score 0.86

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