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MolNFT v1 · #19565 · protein

Molecular architecture of the rotary motor in ATP synthase from yeast mitochondria

1QO1 · ATP synthase alpha chain: “Molecular architecture of the rotary motor in ATP synthase from yeast mitochondria”. X-ray diffraction, 20 pockets (best druggability 0.60). MolNFT v1 #19565 on GenesisL1: 3D structure, binding sites and…

PDB
1QO1
Type
protein
Length
3,912 residues
Chains
18
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ATP synthase alpha chain; ATP synthase beta chain; ATP synthase gamma chain; ATP synthase…
EC
3.6.1.34
UniProt
P19483, P00829, P05631, P00832, P00844
Pockets
20 · best druggability 0.60

Structure

x-ray diffraction · 7 distinct chains · 0% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BATP synthase alpha chain (EC 3.6.1.34)protein4870% helix, 0% strandP19483
CATP synthase alpha chain (EC 3.6.1.34)protein4920% helix, 0% strandP19483
DATP synthase beta chain (EC 3.6.1.34)protein4670% helix, 0% strandP00829
E, FATP synthase beta chain (EC 3.6.1.34)protein4660% helix, 0% strandP00829
GATP synthase gamma chain (EC 3.6.1.34)protein1220% helix, 0% strandP05631
JATP synthase delta chain (EC 3.6.1.34)protein1350% helix, 0% strandP00832
K, L, M, N, O, P, Q, R, S, TATP synthase protein 9 (EC 3.6.1.34)protein790% helix, 0% strandP00844

Pockets

20 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14070.600.7490empty
22670.520.7366empty
32330.520.7445empty
42170.500.7348empty
52050.470.7348empty

Interfaces

24 interfaces between chains.

  • C–D · 463 Ų buried · 0 hydrogen bonds · protein-protein
  • O–P · 431 Ų buried · 0 hydrogen bonds · protein-protein
  • K–T · 410 Ų buried · 0 hydrogen bonds · protein-protein
  • R–S · 410 Ų buried · 0 hydrogen bonds · protein-protein
  • P–Q · 408 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 1QO1 · Molecular Architecture of the Rotary Motor in ATP Synthase from Yeast Mitochondria · the same entry in another collection · chain B against B, TM-score 1.00

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