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Mammalian V-ATPase from rat brain collar and peripheral stalks rotational state 3 (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
6VQK
Type
protein
Length
1,060 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
10 · best druggability 0.74

Structure

electron microscopy · 6 distinct chains · 66% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
GV-type proton ATPase subunit C 1protein36053% helix, 14% strandQ5FVI6
I, KV-type proton ATPase subunit E 1protein6494% helix, 0% strandQ6PCU2
JV-type proton ATPase subunit E 1protein6395% helix, 0% strandQ6PCU2
M, NV-type proton ATPase subunit Gprotein6796% helix, 0% strandQ8R2H0
OV-type proton ATPase subunit Gprotein6697% helix, 0% strandQ8R2H0
aV-type proton ATPase 116 kda subunit a isoform 1protein30958% helix, 12% strandP25286

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14620.740.8376empty
29300.730.77121empty
33210.670.8252empty
42600.650.8260empty
54940.640.7770empty

Interfaces

11 interfaces between chains.

  • K–O · 581 Ų buried · 0 hydrogen bonds · protein-protein
  • J–N · 381 Ų buried · 0 hydrogen bonds · protein-protein
  • I–M · 316 Ų buried · 0 hydrogen bonds · protein-protein
  • G–a · 174 Ų buried · 0 hydrogen bonds · protein-protein
  • G–O · 156 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 6VQK · Mammalian V-ATPase from rat brain collar and peripheral stalks rotational state 3 (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 0.94
  • 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 0.88
  • Q6PCU2 · AlphaFold monomer V2.0 prediction for V-type proton ATPase subunit E 1 (Q6PCU2) · a predicted model of the same protein · chain J against A, TM-score 0.83

Analyse

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