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Ubij-SCP2 ubiquinone synthesis protein

Analyse Ubij-SCP2 ubiquinone synthesis protein in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6H6P
Type
protein
Length
463 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ubiquinone biosynthesis protein ubij
UniProt
P0ADP7
Ligands
CA
Pockets
5 · best druggability 0.83

Structure

x-ray diffraction · 4 distinct chains · 43% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUbiquinone biosynthesis protein ubijprotein11544% helix, 23% strandP0ADP7
BUbiquinone biosynthesis protein ubijprotein11444% helix, 23% strandP0ADP7
CUbiquinone biosynthesis protein ubijprotein11742% helix, 21% strandP0ADP7
DUbiquinone biosynthesis protein ubijprotein11743% helix, 22% strandP0ADP7

Ligands and binding sites

  • CA · Calcium ion · metal · 16 copies · chains A, C, B, D
  • 1PE · Pentaethylene glycol · additive · 2 copies · chains A, B, C

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

Pockets

5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110030.830.8489CA
23200.650.8030empty
33390.640.7833empty
42460.630.8129empty
52760.630.8029empty

Interfaces

6 interfaces between chains.

  • B–D · 627 Ų buried · 9 hydrogen bonds · protein-protein
  • C–D · 445 Ų buried · 2 hydrogen bonds · protein-protein
  • A–C · 363 Ų buried · 1 hydrogen bond · protein-protein
  • A–B · 341 Ų buried · 2 hydrogen bonds · protein-protein
  • A–D · 147 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 6H6P · UbiJ-SCP2 Ubiqui synthesis protein · the same entry in another collection · chain D against D, TM-score 1.00
  • P0ADP7 · AlphaFold monomer V2.0 prediction for ubiquinone biosynthesis accessory factor ubij… · a predicted model of the same protein · chain B against A, TM-score 0.95

Analyse

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