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Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: hydration state 2.

Analyse Low resolution structures of bovine mitochondrial F1-ATPase during controlled… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2W6F
Type
protein
Length
2,979 residues
Chains
7
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ATP synthase subunit alpha heart isoform, mitochondrial; ATP synthase subunit beta…
EC
3.6.3.14
UniProt
P19483, P00829, P05631
Pockets
20 · best druggability 0.88

Structure

x-ray diffraction · 6 distinct chains · 42% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AATP synthase subunit alpha heart isoform, mitochondrial (EC 3.6.3.14)protein48743% helix, 20% strandP19483
BATP synthase subunit alpha heart isoform, mitochondrial (EC 3.6.3.14)protein47941% helix, 21% strandP19483
CATP synthase subunit alpha heart isoform, mitochondrial (EC 3.6.3.14)protein49241% helix, 20% strandP19483
DATP synthase subunit beta, mitochondrial (EC 3.6.3.14)protein46738% helix, 21% strandP00829
E, FATP synthase subunit beta, mitochondrial (EC 3.6.3.14)protein46638% helix, 21% strandP00829
GATP synthase subunit gamma, mitochondrial (EC 3.6.3.14)protein12289% helix, 0% strandP05631

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111230.880.89113empty
211600.880.89135empty
39020.870.8999empty
46910.830.8768empty
55320.820.8861empty

Interfaces

13 interfaces between chains.

  • C–D · 3030 Ų buried · 43 hydrogen bonds · protein-protein
  • A–D · 2503 Ų buried · 26 hydrogen bonds · protein-protein
  • C–F · 2250 Ų buried · 23 hydrogen bonds · protein-protein
  • B–F · 2156 Ų buried · 31 hydrogen bonds · protein-protein
  • B–E · 1950 Ų buried · 23 hydrogen bonds · protein-protein

Compared structures

  • 2W6F · Low resolution structures of bovine mitochondrial F1-ATPase during controlled… · the same entry in another collection · chain G against G, TM-score 1.00
  • P19483 · AlphaFold monomer V2.0 prediction for ATP synthase subunit alpha, mitochondrial (P19483) · a predicted model of the same protein · chain A against A, TM-score 0.99
  • P00829 · AlphaFold monomer V2.0 prediction for ATP synthase subunit beta, mitochondrial (P00829) · a predicted model of the same protein · chain E against A, TM-score 0.98
  • P05631 · AlphaFold monomer V2.0 prediction for ATP synthase subunit gamma, mitochondrial (P05631) · a predicted model of the same protein · chain G against A, TM-score 0.96

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