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Structure of yeast mitochondrial ADP/ATP carrier isoform 2 inhibited by carboxyatractyloside (C2221 crystal form)

Analyse Structure of yeast mitochondrial ADP/ATP carrier isoform 2 inhibited by… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4C9G
Type
protein
Length
265 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ADP, ATP carrier protein 2
UniProt
P18239
Ligands
CDL, CXT, BNG
Pockets
1 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 79% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AADP, ATP carrier protein 2protein26579% helix, 0% strandP18239

Ligands and binding sites

  • CDL · Cardiolipin · ligand · 3 copies · chains A
  • CXT · Carboxyatractyloside · ligand · chains A
  • BNG · nonyl beta-D-glucopyranoside · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18730.740.7862CXT

Compared structures

  • 4C9G · Structure of yeast mitochondrial ADP/ATP carrier isoform 2 inhibited by… · the same entry in another collection · chain A against A, TM-score 1.00
  • P18239 · AlphaFold monomer V2.0 prediction for ADP,ATP carrier protein 2 (P18239) · a predicted model of the same protein · chain A against A, TM-score 0.97

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