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MolNFT v1 · #143336 · protein

Crystal structure of human COQ9

6AWL · Ubiquinone biosynthesis protein COQ9, mitochondrial: “Crystal structure of human COQ9”. X-ray diffraction, 1 ligand (PEF), 2 pockets (best druggability 0.84). MolNFT v1 #143336 on GenesisL1: 3D structure, binding sites and pockets…

PDB
6AWL
Type
protein
Length
408 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ubiquinone biosynthesis protein COQ9, mitochondrial
UniProt
O75208
Ligands
PEF
Pockets
2 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 78% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUbiquinone biosynthesis protein COQ9, mitochondrialprotein21779% helix, 0% strandO75208
BUbiquinone biosynthesis protein COQ9, mitochondrialprotein19177% helix, 0% strandO75208

Ligands and binding sites

  • PEF · Di-palmitoyl-3-sn-phosphatidylethanolamine · ligand · chains A, B
  • BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · chains A, B

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
18470.840.8560PEF
2500.260.7417empty

Interfaces

1 interface between chains.

  • A–B · 818 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 6AWL · Crystal structure of human Coq9 · the same entry in another collection · chain A against A, TM-score 1.00
  • O75208 · AlphaFold monomer V2.0 prediction for ubiquinone biosynthesis protein COQ9, mitochondrial… · a predicted model of the same protein · chain B against A, TM-score 0.96

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