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MolNFT v1 · #179845 · protein

Cryo-EM structure of bafilomycin A1-bound intact V-ATPase from bovine brain

7KHR: “Cryo-EM structure of bafilomycin A1-bound intact V-ATPase from bovine brain”. Electron microscopy, 10 ligands (POV, WEV, ADP). MolNFT v1 #179845 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7KHR
Type
protein
Length
8,212 residues
Chains
32
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P31404, P31408, P21282, A0A3Q1M4W9, P11019, Q28029, Q0VCV6, F1MZL6, F1MJV0, Q2TA24, P61420, Q2KIB5, P40682, P81134, P23956, Q3ZC23
Ligands
POV, WEV, ADP, WJP, OLA, NAG, MAN, GLC, BMA, MG

Structure

electron microscopy · 21 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein589—P31404
B—protein591—P31404
C—protein600—P31404
D—protein461—P31408
E, F—protein458—P31408
G—protein346—P21282
H—protein212—A0A3Q1M4W9
I, J—protein218—P11019
K—protein220—P11019
L—protein103—Q28029
M, N, O—protein109—Q0VCV6
P—protein368—F1MZL6
a—protein750—F1MJV0
b—protein204—Q2TA24
d—protein348—P61420
e—protein73—Q2KIB5
s—protein204—P40682
r—protein46—P81134
c, g, k, l, m, n—protein150—P23956
o, p, q—protein151—P23956
f—protein65—Q3ZC23

Ligands and binding sites

  • POV · (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate · ligand · 8 copies · chains b, s, r, g, k, c, p, q, n, o, m, l
  • WEV · (5R)-2,4-dideoxy-1-C-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S, 4E,6E,9R,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7, 9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12, 14-tetraen-2-yl]pentan-2-yl}-4-methyl-5-propan-2-yl-alpha-D-threo-pentopyranose · ligand · 6 copies · chains c, g, k, l, m, o, p, q
  • ADP · Adenosine-5'-diphosphate · ligand · chains C, F
  • WJP · Methyl (3R,6Z,10E,14E)-3,7,11,15,19-pentamethylicosa-6, 10,14,18-tetraen-1-yl dihydrogen diphosphate · ligand · chains a, n
  • OLA · Oleic acid · ligand · chains r, o, p
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 9 copies · chains a, e, s, b
  • MAN · alpha-D-mannopyranose · sugar · 5 copies · chains a, e
  • GLC · alpha-D-glucopyranose · sugar · 3 copies · chains a
  • BMA · beta-D-mannopyranose · sugar · chains a
  • MG · Magnesium ion · metal · chains C

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

Compared structures

  • 7KHR · Cryo-EM structure of bafilomycin A1-bound intact V-ATPase from bovine brain · the same entry in another collection · chain K against K, TM-score 1.00

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