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MolNFT v1 · #137450 · protein

Yeast V-ATPase in complex with legionella pneumophila effector sidk (rotational state 2)

5VOY · V-type proton ATPase catalytic subunit A,V-type proton…: “Yeast V-ATPase in complex with legionella pneumophila effector sidk (rotational state 2)”. Electron microscopy, 20 pockets (best druggability 0.83). MolNFT v1 #137450 on…

PDB
5VOY
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 0.83

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.-.-)protein59333% helix, 22% strandP17255
B, D, FV-type proton ATPase subunit Bprotein45735% helix, 19% strandP16140
GV-type proton ATPase subunit Eprotein21868% helix, 10% strandP22203
H, J, LV-type proton ATPase subunit Gprotein10589% helix, 0% strandP48836
I, KV-type proton ATPase subunit Eprotein21771% helix, 7% strandP22203
MV-type proton ATPase subunit Dprotein21074% helix, 9% strandP32610
NV-type proton ATPase subunit Fprotein11537% helix, 23% strandP39111
OV-type proton ATPase subunit Cprotein39245% helix, 12% strandP31412
PV-type proton ATPase subunit Hprotein46269% helix, 0% strandP41807
QV-type proton ATPase subunit Dprotein34560% helix, 0% strandP32366
RV-type proton ATPase subunit C''protein21364% helix, 0% strandP23968
SV-type proton ATPase subunit C'protein14767% helix, 0% strandP32842
T, U, W, X, YV-type proton ATPase subunit Cprotein15075% helix, 0% strandP25515
VV-type proton ATPase subunit Cprotein14976% helix, 0% strandP25515
Z, aV-type proton ATPase subunit Cprotein14876% helix, 0% strandP25515
bV-type proton ATPase subunit a, vacuolar isoformprotein63460% helix, 6% strandP32563
cV-type proton ATPase subunit Eprotein5746% helix, 0% strandQ3E7B6
dV-type proton ATPase subunit Fprotein5483% helix, 0% strand—
e, f, gEffector protein sidkprotein25070% 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
18740.830.86173empty
25370.780.86106empty
37100.760.82167empty
48970.760.80130empty
56250.760.83153empty

Interfaces

55 interfaces between chains.

  • A–B · 1091 Ų buried · 11 hydrogen bonds · protein-protein
  • E–F · 862 Ų buried · 9 hydrogen bonds · protein-protein
  • D–E · 627 Ų buried · 8 hydrogen bonds · protein-protein
  • C–D · 597 Ų buried · 7 hydrogen bonds · protein-protein
  • B–C · 564 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 5VOY · Yeast V-ATPase in complex with Legionella pneumophila effector SidK (rotational state 2) · the same entry in another collection · chain K against K, TM-score 1.00

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