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Yeast V-ATPase state 3

Analyse Yeast V-ATPase state 3 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3J9V
Type
protein
Length
7,451 residues
Chains
28
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
V-type proton ATPase subunit a, vacuolar isoform; V-type proton ATPase subunit C; V-type…
EC
3.6.3.14, 3.1.-.-
UniProt
P32563, P31412, P32610, P39111, P17255, P16140, P32366, P48836, P22203, P41807, P25515
Pockets
20 · best druggability 0.86

Structure

electron microscopy · 11 distinct chains · 55% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
bV-type proton ATPase subunit a, vacuolar isoformprotein31254% helix, 13% strandP32563
OV-type proton ATPase subunit Cprotein39247% helix, 13% strandP31412
MV-type proton ATPase subunit Dprotein21076% helix, 10% strandP32610
NV-type proton ATPase subunit Fprotein11537% helix, 22% strandP39111
E, A, CV-type proton ATPase catalytic subunit a (EC 3.6.3.14, 3.1.-.-)protein59337% helix, 25% strandP17255
F, B, DV-type proton ATPase subunit Bprotein45736% helix, 23% strandP16140
QV-type proton ATPase subunit Dprotein34561% helix, 0% strandP32366
J, L, HV-type proton ATPase subunit Gprotein10589% helix, 0% strandP48836
I, K, GV-type proton ATPase subunit Eprotein21771% helix, 11% strandP22203
PV-type proton ATPase subunit Hprotein46173% helix, 0% strandP41807
R, U, X, Y, W, Z, V, a, S, TV-type proton ATPase subunit Cprotein15082% helix, 0% strandP25515

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16690.860.9078empty
23480.850.9553empty
32600.840.9632empty
45800.830.8865empty
52130.810.9541empty

Interfaces

56 interfaces between chains.

  • C–D · 3733 Ų buried · 45 hydrogen bonds · protein-protein
  • A–B · 3534 Ų buried · 40 hydrogen bonds · protein-protein
  • J–I · 2994 Ų buried · 13 hydrogen bonds · protein-protein
  • H–G · 2946 Ų buried · 6 hydrogen bonds · protein-protein
  • L–K · 2936 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • P17255 · AlphaFold monomer V2.0 prediction for V-type proton ATPase catalytic subunit a (P17255) · a predicted model of the same protein · chain E against A, TM-score 0.94
  • P25515 · AlphaFold monomer V2.0 prediction for V-type proton ATPase subunit C (P25515) · a predicted model of the same protein · chain R against A, TM-score 0.93
  • P16140 · AlphaFold monomer V2.0 prediction for V-type proton ATPase subunit B (P16140) · a predicted model of the same protein · chain F against A, TM-score 0.93
  • P39111 · AlphaFold monomer V2.0 prediction for V-type proton ATPase subunit F (P39111) · a predicted model of the same protein · chain N against A, TM-score 0.92
  • P32610 · AlphaFold monomer V2.0 prediction for V-type proton ATPase subunit D (P32610) · a predicted model of the same protein · chain M against A, TM-score 0.89
  • P22203 · AlphaFold monomer V2.0 prediction for V-type proton ATPase subunit E (P22203) · a predicted model of the same protein · chain I against A, TM-score 0.85
  • P41807 · AlphaFold monomer V2.0 prediction for V-type proton ATPase subunit H (P41807) · a predicted model of the same protein · chain P against A, TM-score 0.85
  • P31412 · AlphaFold monomer V2.0 prediction for V-type proton ATPase subunit C (P31412) · a predicted model of the same protein · chain O against A, TM-score 0.84
  • P32366 · AlphaFold monomer V2.0 prediction for V-type proton ATPase subunit D (P32366) · a predicted model of the same protein · chain Q against A, TM-score 0.80
  • P48836 · AlphaFold monomer V2.0 prediction for V-type proton ATPase subunit G (P48836) · a predicted model of the same protein · chain J against A, TM-score 0.79
  • P32563 · AlphaFold monomer V2.0 prediction for V-type proton ATPase subunit a, vacuolar isoform… · a predicted model of the same protein · chain b against A, TM-score 0.67

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