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X-ray structure of the human mitochondrial PRELID1 in complex with TRIAP1

Analyse X-ray structure of the human mitochondrial PRELID1 in complex with TRIAP1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6I3V
Type
protein
Length
493 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Preli domain-containing protein 1, mitochondrial; TP53-regulated inhibitor of apoptosis 1
UniProt
Q9Y255, O43715
Ligands
MYR, NA, CL
Pockets
3 · best druggability 0.58

Structure

x-ray diffraction · 3 distinct chains · 37% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
FPreli domain-containing protein 1, mitochondrialprotein18231% helix, 40% strandQ9Y255
BPreli domain-containing protein 1, mitochondrialprotein17333% helix, 39% strandQ9Y255
A, CTP53-regulated inhibitor of apoptosis 1protein6962% helix, 0% strandO43715

Ligands and binding sites

  • MYR · Myristic acid · ligand · 2 copies · chains F, B
  • NA · Sodium ion · metal · 3 copies · chains B
  • CL · Chloride ion · ion · 13 copies · chains F, A, B, C

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13550.580.7648MYR, CL
22970.550.7538MYR
3820.490.8319empty

Interfaces

3 interfaces between chains.

  • B–C · 1446 Ų buried · 18 hydrogen bonds · protein-protein
  • F–A · 1428 Ų buried · 16 hydrogen bonds · protein-protein
  • F–B · 381 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 6I3V · x-ray structure of the human mitochondrial PRELID1 in complex with TRIAP1 · the same entry in another collection · chain F against F, TM-score 1.00
  • O43715 · AlphaFold monomer V2.0 prediction for TP53-regulated inhibitor of apoptosis 1 (O43715) · a predicted model of the same protein · chain A against A, TM-score 0.96
  • Q9Y255 · AlphaFold monomer V2.0 prediction for preli domain-containing protein 1, mitochondrial… · a predicted model of the same protein · chain B against A, TM-score 0.77

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