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Crystal structure of the TDRD2 extended tudor domain in complex with an antibody fragment and the PIWIL1 peptide

Analyse Crystal structure of the TDRD2 extended tudor domain in complex with an… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6PI7
Type
protein
Length
1,250 residues
Chains
7
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tudor and kh domain-containing protein; Uncharacterized protein; Fab antigen-binding…
UniProt
Q9Y2W6
Ligands
UNX
Pockets
15 · best druggability 0.71

Structure

x-ray diffraction · 4 distinct chains · 12% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, DTudor and kh domain-containing proteinprotein19222% helix, 39% strandQ9Y2W6
B, EUncharacterized proteinprotein2117% helix, 51% strand—
C, FFab antigen-binding fragmentprotein2199% helix, 49% strand—
GPiwi-like protein 1protein60% helix, 0% strand—

Ligands and binding sites

  • UNX · Unknown atom or ion · ion · 5 copies · chains A, C, D

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

Pockets

15 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11190.710.9234empty
21040.670.9122empty
32890.640.8030empty
42030.630.8329empty
51730.590.8227empty

Interfaces

8 interfaces between chains.

  • E–F · 1672 Ų buried · 11 hydrogen bonds · protein-protein
  • B–C · 1635 Ų buried · 11 hydrogen bonds · protein-protein
  • D–F · 830 Ų buried · 9 hydrogen bonds · protein-protein
  • A–C · 821 Ų buried · 11 hydrogen bonds · protein-protein
  • C–F · 500 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

  • 6PI7 · Crystal structure of the TDRD2 extended Tudor domain in complex with an antibody fragment… · the same entry in another collection · chain G against G, TM-score 1.00
  • Q9Y2W6 · AlphaFold monomer V2.0 prediction for tudor and kh domain-containing protein (Q9Y2W6) · a predicted model of the same protein · chain A against A, TM-score 0.98

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