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Mammalian V-ATPase from rat brain collar and peripheral stalks rotational state 1 (from focused refinement)

Analyse Mammalian V-ATPase from rat brain collar and peripheral stalks rotational state… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6VQI
Type
protein
Length
1,062 residues
Chains
8
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
V-type proton ATPase subunit C 1; V-type proton ATPase subunit E 1; V-type proton ATPase…
UniProt
Q5FVI6, Q6PCU2, Q8R2H0, P25286
Pockets
12 · best druggability 0.75

Structure

electron microscopy · 4 distinct chains · 61% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
GV-type proton ATPase subunit C 1protein36051% helix, 15% strandQ5FVI6
I, J, KV-type proton ATPase subunit E 1protein6494% helix, 0% strandQ6PCU2
M, N, OV-type proton ATPase subunit Gprotein6797% helix, 0% strandQ8R2H0
aV-type proton ATPase 116 kda subunit a isoform 1protein30957% helix, 12% strandP25286

Pockets

12 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14960.750.8391empty
24910.710.8166empty
33520.710.8366empty
42600.660.8344empty
53290.620.7942empty

Interfaces

10 interfaces between chains.

  • K–O · 578 Ų buried · 0 hydrogen bonds · protein-protein
  • J–N · 447 Ų buried · 0 hydrogen bonds · protein-protein
  • I–M · 438 Ų buried · 0 hydrogen bonds · protein-protein
  • G–a · 205 Ų buried · 0 hydrogen bonds · protein-protein
  • G–J · 153 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 6VQI · Mammalian V-ATPase from rat brain collar and peripheral stalks rotational state 1 (from… · the same entry in another collection · chain a against a, TM-score 1.00
  • Q5FVI6 · AlphaFold monomer V2.0 prediction for V-type proton ATPase subunit C 1 (Q5FVI6) · a predicted model of the same protein · chain G against A, TM-score 0.95
  • Q6PCU2 · AlphaFold monomer V2.0 prediction for V-type proton ATPase subunit E 1 (Q6PCU2) · a predicted model of the same protein · chain I against A, TM-score 0.89
  • P25286 · AlphaFold monomer V2.0 prediction for V-type proton ATPase 116 kda subunit A1 (P25286) · a predicted model of the same protein · chain a against A, TM-score 0.89

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