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Cryo-EM structure of bedaquiline-saturated mycobacterium smegmatis ATP synthase rotational state 3

Analyse Cryo-EM structure of bedaquiline-saturated mycobacterium smegmatis ATP synthase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7JGA
Type
protein
Length
4,830 residues
Chains
20
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
A0A0D6IV93, A0A0D6IU77, A0A0D6IUE3, A0A0D6IU73, A0R206, A0A0D6IV98, A0R203, Q5TIX5
Ligands
BQ1, ATP, ADP, MG, PO4

Structure

electron microscopy · 10 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein514—A0A0D6IV93
B—protein508—A0A0D6IV93
C—protein515—A0A0D6IV93
D, E, F—protein464—A0A0D6IU77
G—protein279—A0A0D6IUE3
H—protein117—A0A0D6IU73
a—protein207—A0R206
b—protein141—A0A0D6IV98
d—protein428—A0R203
1, 2, 3, 4, 5, 6, 7, 8, 9—protein81—Q5TIX5

Ligands and binding sites

  • BQ1 · Bedaquiline · ligand · 7 copies · chains a, 1, 2, 4, 5, 6, 7, 8, 9
  • ATP · Adenosine-5'-triphosphate · ligand · 3 copies · chains A, F, B, D, C, E
  • ADP · Adenosine-5'-diphosphate · ligand · chains B, E
  • MG · Magnesium ion · metal · 4 copies · chains A, B, C, E
  • PO4 · Phosphate ion · ion · chains C, F

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

  • 7JGA · Cryo-EM structure of bedaquiline-saturated Mycobacterium smegmatis ATP synthase… · the same entry in another collection · chain 9 against 9, TM-score 1.00

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