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Yeast vo motor in complex with 1 vopq molecule

Analyse Yeast vo motor in complex with 1 vopq molecule in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6PE4
Type
protein
Length
3,295 residues
Chains
16
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
V-type proton ATPase subunit a, vacuolar isoform; V0 assembly protein 1; V-type proton…
UniProt
P32563, P53262, P32366, Q3E7B6, P0C5R9, P23968, P32842, P25515, A0A0L7YPA6
Pockets
20 · best druggability 0.82

Structure

electron microscopy · 10 distinct chains · 58% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AV-type proton ATPase subunit a, vacuolar isoformprotein75853% helix, 6% strandP32563
BV0 assembly protein 1protein5349% helix, 0% strandP53262
DV-type proton ATPase subunit Dprotein34559% helix, 1% strandP32366
EV-type proton ATPase subunit Eprotein6959% helix, 0% strandQ3E7B6
FUncharacterized protein YPR170W-Bprotein7454% helix, 0% strandP0C5R9
GV-type proton ATPase subunit C''protein19980% helix, 0% strandP23968
HV-type proton ATPase subunit C'protein15876% helix, 0% strandP32842
I, J, K, L, M, NV-type proton ATPase subunit Cprotein15974% helix, 0% strandP25515
O, PV-type proton ATPase subunit Cprotein15875% helix, 0% strandP25515
QCation transporterprotein36939% helix, 4% strandA0A0L7YPA6

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110490.820.8371empty
29480.780.8066empty
36970.760.8156empty
46460.740.8159empty
58840.740.7866empty

Interfaces

40 interfaces between chains.

  • A–E · 2227 Ų buried · 16 hydrogen bonds · protein-protein
  • H–I · 1899 Ų buried · 5 hydrogen bonds · protein-protein
  • L–M · 1895 Ų buried · 5 hydrogen bonds · protein-protein
  • M–N · 1868 Ų buried · 5 hydrogen bonds · protein-protein
  • J–K · 1859 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 6PE4 · Yeast Vo motor in complex with 1 VopQ molecule · the same entry in another collection · chain L against L, TM-score 1.00

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