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MolNFT v2 · #63949 · protein

Crystal structure of Tom71 complexed with Ssa1 C-terminal fragment

3FP4 · TPR repeat-containing protein YHR117W: “Crystal structure of Tom71 complexed with Ssa1 C-terminal fragment”. X-ray diffraction at 2.14, 3 ligands (NA, CL, SO4), 4 pockets (best druggability 0.62). MolNFT v2 #63949 on GenesisL1: 3D…

PDB
3FP4
Type
protein
Length
490 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.14
Source
Saccharomyces cerevisiae; SYNTHETIC CONSTRUCT
Molecule
TPR repeat-containing protein YHR117W; Ssa1
UniProt
P38825
Ligands
NA, CL, SO4
Pockets
4 · best druggability 0.62

Structure

x-ray diffraction · resolution 2.14 · 2 distinct chains · 76% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATPR repeat-containing protein YHR117Wprotein48377% helix, 0% strandP38825
QSsa1protein70% helix, 0% strand—

Ligands and binding sites

  • NA · Sodium ion · metal · 3 copies · chains A
  • CL · Chloride ion · ion · 11 copies · chains A
  • SO4 · Sulfate ion · ion · 3 copies · 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
14780.620.7658NA
21040.460.7916empty
31090.440.7823SO4
41030.400.7619NA

Interfaces

1 interface between chains.

  • A–Q · 360 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 3FP4 · Crystal structure of TOM71 complexed with SSA1 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

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