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Crystal structure of Tom71 complexed with Hsp82 C-terminal fragment

Analyse Crystal structure of Tom71 complexed with Hsp82 C-terminal fragment in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3FP2
Type
protein
Length
488 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.98
Source
Saccharomyces cerevisiae; SYNTHETIC CONSTRUCT
Molecule
TPR repeat-containing protein YHR117W; ATP-dependent molecular chaperone HSP82
UniProt
P38825, P02829
Ligands
MG, CL
Pockets
4 · best druggability 0.61

Structure

x-ray diffraction · resolution 1.98 · 2 distinct chains · 76% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATPR repeat-containing protein YHR117Wprotein48377% helix, 0% strandP38825
QATP-dependent molecular chaperone HSP82protein50% helix, 0% strandP02829

Ligands and binding sites

  • MG · Magnesium ion · metal · chains A
  • CL · Chloride ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14800.610.7557MG
21320.480.7922empty
31060.450.7918empty
41030.420.7721empty

Interfaces

1 interface between chains.

  • A–Q · 430 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 3FP2 · Crystal structure of TOM71 complexed with HSP82 C-terminal fragment · the same entry in another collection · chain A against A, TM-score 1.00
  • P38825 · AlphaFold monomer V2.0 prediction for protein TOM71 (P38825) · a predicted model of the same protein · chain A against A, TM-score 0.96
  • P02829 · AlphaFold monomer V2.0 prediction for ATP-dependent molecular chaperone HSP82 (P02829) · a predicted model of the same protein · chain Q against A, TM-score 0.79

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