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The membrane-embedded vo domain of V/A-ATPase from thermus thermophilus

Analyse The membrane-embedded vo domain of V/A-ATPase from thermus thermophilus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6LY9
Type
protein
Length
1,894 residues
Chains
16
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
V-type ATP synthase subunit I; V-type ATP synthase, subunit K; V-type ATP synthase…
UniProt
Q5SIT6, Q5SIT7, P74902, Q5SIT5, P74901
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 8 distinct chains · 70% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
NV-type ATP synthase subunit Iprotein64962% helix, 4% strandQ5SIT6
O, T, U, X, Y, ZV-type ATP synthase, subunit Kprotein7390% helix, 0% strandQ5SIT7
PV-type ATP synthase, subunit Kprotein7688% helix, 0% strandQ5SIT7
Q, R, S, WV-type ATP synthase, subunit Kprotein7486% helix, 0% strandQ5SIT7
VV-type ATP synthase, subunit Kprotein7286% helix, 0% strandQ5SIT7
MV-type ATP synthase subunit Cprotein32167% helix, 0% strandP74902
KV-type ATP synthase, subunit (vapc-therm)protein2291% helix, 0% strandQ5SIT5
LV-type ATP synthase subunit Eprotein2090% helix, 0% strandP74901

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16880.850.8990empty
21750.810.9632empty
3700.740.9819empty
49870.740.7654empty
5790.720.9615empty

Interfaces

37 interfaces between chains.

  • O–P · 1651 Ų buried · 8 hydrogen bonds · protein-protein
  • U–V · 1591 Ų buried · 5 hydrogen bonds · protein-protein
  • T–U · 1588 Ų buried · 4 hydrogen bonds · protein-protein
  • O–Z · 1583 Ų buried · 10 hydrogen bonds · protein-protein
  • Q–R · 1575 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 6LY9 · The membrane-embedded Vo domain of V/A-ATPase from Thermus thermophilus · the same entry in another collection · chain L against L, TM-score 1.00

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