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Yeast V-ATPase in complex with legionella pneumophila effector sidk (rotational state 3)

Analyse Yeast V-ATPase in complex with legionella pneumophila effector sidk (rotational… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5VOZ
Type
protein
Length
8,691 residues
Chains
33
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
V-type proton ATPase catalytic subunit A,V-type proton ATPase catalytic subunit a; V-type…
EC
3.6.3.14, 3.1.-.-
UniProt
P17255, P16140, P22203, P48836, P32610, P39111, P31412, P41807, P32366, P23968, P32842, P25515, P32563, Q3E7B6, G8UUS6
Pockets
20 · best druggability 0.80

Structure

electron microscopy · 19 distinct chains · 58% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, EV-type proton ATPase catalytic subunit A,V-type proton ATPase catalytic subunit a (EC 3.6.3.14, 3.1.-.-)protein59336% helix, 20% strandP17255
B, D, FV-type proton ATPase subunit Bprotein45736% helix, 22% strandP16140
GV-type proton ATPase subunit Eprotein21870% helix, 8% strandP22203
H, J, LV-type proton ATPase subunit Gprotein10576% helix, 0% strandP48836
I, KV-type proton ATPase subunit Eprotein21768% helix, 9% strandP22203
MV-type proton ATPase subunit Dprotein21072% helix, 10% strandP32610
NV-type proton ATPase subunit Fprotein11537% helix, 20% strandP39111
OV-type proton ATPase subunit Cprotein39244% helix, 12% strandP31412
PV-type proton ATPase subunit Hprotein46271% helix, 0% strandP41807
QV-type proton ATPase subunit Dprotein34561% helix, 0% strandP32366
RV-type proton ATPase subunit C''protein21363% helix, 0% strandP23968
SV-type proton ATPase subunit C'protein14771% helix, 0% strandP32842
T, U, W, X, YV-type proton ATPase subunit Cprotein15073% helix, 0% strandP25515
VV-type proton ATPase subunit Cprotein14977% helix, 0% strandP25515
Z, aV-type proton ATPase subunit Cprotein14882% helix, 0% strandP25515
bV-type proton ATPase subunit a, vacuolar isoformprotein63461% helix, 6% strandP32563
cV-type proton ATPase subunit Eprotein5746% helix, 0% strandQ3E7B6
dV-type proton ATPase subunit Fprotein5481% helix, 0% strand—
e, f, gUncharacterized proteinprotein25066% helix, 0% strandG8UUS6

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19230.800.83226empty
25560.780.86107empty
39530.770.81187empty
48820.770.81170empty
510240.760.80160empty

Interfaces

59 interfaces between chains.

  • C–D · 892 Ų buried · 10 hydrogen bonds · protein-protein
  • A–B · 799 Ų buried · 5 hydrogen bonds · protein-protein
  • A–F · 689 Ų buried · 9 hydrogen bonds · protein-protein
  • E–F · 669 Ų buried · 9 hydrogen bonds · protein-protein
  • D–E · 546 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 5VOZ · Yeast V-ATPase in complex with Legionella pneumophila effector SidK (rotational state 3) · the same entry in another collection · chain K against K, TM-score 1.00

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