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Yeast ATP synthase state 3CATALYTIC(D) with 10 mm ATP backbone model

Analyse Yeast ATP synthase state 3CATALYTIC(D) with 10 mm ATP backbone model in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7TKR
Type
protein
Length
5,056 residues
Chains
27
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ATP synthase subunit 9; ATP synthase subunit alpha; ATP synthase subunit beta; ATP…
EC
7.1.2.2
UniProt
P61829, P07251, P00830, P38077, Q12165, P21306, P09457, P00854, P05626, P30902, Q06405, Q12349, P81450, P00856
Pockets
20 · best druggability 0.80

Structure

electron microscopy · 20 distinct chains · 47% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
0, 1, 2, 4, 5, 8ATP synthase subunit 9protein7596% helix, 0% strandP61829
3, 6, 9ATP synthase subunit 9protein7491% helix, 0% strandP61829
7ATP synthase subunit 9protein7392% helix, 0% strandP61829
AATP synthase subunit alphaprotein49938% helix, 16% strandP07251
BATP synthase subunit alphaprotein50739% helix, 19% strandP07251
CATP synthase subunit alphaprotein49639% helix, 19% strandP07251
DATP synthase subunit beta (EC 7.1.2.2)protein46836% helix, 20% strandP00830
EATP synthase subunit beta (EC 7.1.2.2)protein46934% helix, 19% strandP00830
FATP synthase subunit beta (EC 7.1.2.2)protein47037% helix, 19% strandP00830
GATP synthase subunit gammaprotein26563% helix, 12% strandP38077
HATP synthase subunit deltaprotein12025% helix, 39% strandQ12165
IATP synthase subunit epsilonprotein4835% helix, 13% strandP21306
OATP synthase subunit 5protein18747% helix, 8% strandP09457
TATP synthase subunit aprotein22470% helix, 0% strandP00854
UATP synthase subunit 4protein15594% helix, 0% strandP05626
VATP synthase subunit Dprotein17158% helix, 0% strandP30902
WATP synthase subunit Fprotein8542% helix, 1% strandQ06405
XATP synthase subunit Hprotein6245% helix, 2% strandQ12349
YATP synthase subunit Jprotein3757% helix, 0% strandP81450
ZATP synthase protein 8protein4879% helix, 0% strandP00856

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18850.800.83122empty
28590.800.84129empty
37850.740.80135empty
47180.740.81121empty
54480.740.8462empty

Interfaces

53 interfaces between chains.

  • B–F · 575 Ų buried · 9 hydrogen bonds · protein-protein
  • B–E · 534 Ų buried · 3 hydrogen bonds · protein-protein
  • A–E · 520 Ų buried · 7 hydrogen bonds · protein-protein
  • 1–2 · 452 Ų buried · 0 hydrogen bonds · protein-protein
  • 0–1 · 450 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 7TKR · Yeast ATP synthase State 3catalytic(d) with 10 mM ATP backbone model · the same entry in another collection · chain 2 against 2, TM-score 1.00

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