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MolNFT v1 · #52629 · protein

Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: hydration state 4B.

2W6I · ATP synthase subunit alpha heart isoform, mitochondrial: “Low resolution structures of bovine mitochondrial F1-ATPase during controlled dehydration: hydration state 4B.”. X-ray diffraction, 20 pockets (best druggability 0.88).…

PDB
2W6I
Type
protein
Length
3,179 residues
Chains
9
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, P05630, P05632
Pockets
20 · best druggability 0.88

Structure

x-ray diffraction · 8 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)protein26360% helix, 12% strandP05631
HF1-ATPase delta subunit (EC 3.6.3.14)protein3123% helix, 42% strandP05630
IATP synthase subunit epsilon, mitochondrial (EC 3.6.3.14)protein2839% helix, 11% strandP05632

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110470.880.89124empty
29180.870.8995empty
37060.850.8968empty
45890.840.8979empty
54320.840.9270empty

Interfaces

16 interfaces between chains.

  • C–D · 2987 Ų buried · 41 hydrogen bonds · protein-protein
  • A–D · 2536 Ų buried · 32 hydrogen bonds · protein-protein
  • C–F · 2258 Ų buried · 20 hydrogen bonds · protein-protein
  • B–F · 2149 Ų buried · 32 hydrogen bonds · protein-protein
  • B–E · 1909 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • 2W6I · Low resolution structures of bovine mitochondrial F1-ATPase during controlled… · the same entry in another collection · chain I against I, 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

Analyse

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