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Crystal structure of TOM71 complexed with SSA1 C-terminal fragment

Analyse Crystal structure of TOM71 complexed with SSA1 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
3FP4
Type
protein
Length
490 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tpr repeat-containing protein YHR117W; SSA1
UniProt
P38825
Ligands
NA, CL, SO4
Pockets
4 · best druggability 0.62

Structure

x-ray diffraction · 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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