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MolNFT v1 · #17159 · protein

Structure of mitochondrial ADP/ATP carrier in complex with carboxyatractyloside

1OKC · ADP, ATP carrier protein heart isoform T1: “Structure of mitochondrial ADP/ATP carrier in complex with carboxyatractyloside”. X-ray diffraction, 4 ligands (PC1, CDL, LDM), 2 pockets (best druggability 0.75). MolNFT v1 #17159 on…

PDB
1OKC
Type
protein
Length
292 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ADP, ATP carrier protein heart isoform T1
UniProt
P02722
Ligands
PC1, CDL, LDM, CXT
Pockets
2 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 78% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AADP, ATP carrier protein heart isoform T1protein29278% helix, 0% strandP02722

Ligands and binding sites

  • PC1 · 1,2-diacyl-sn-glycero-3-phosphocholine · ligand · 4 copies · chains A
  • CDL · Cardiolipin · ligand · 3 copies · chains A
  • LDM · 3-laurylamido-N,N'-dimethylpropylaminoxyde · ligand · 2 copies · chains A
  • CXT · Carboxyatractyloside · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18090.750.7953CXT
2700.330.7510empty

Compared structures

  • 1OKC · structure of mitochondrial ADP/ATP carrier in complex with carboxyatractyloside · the same entry in another collection · chain A against A, TM-score 1.00
  • P02722 · AlphaFold monomer V2.0 prediction for ADP/ATP translocase 1 (P02722) · a predicted model of the same protein · chain A against A, TM-score 0.98

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