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MolNFT v1 · #186539 · protein

Mycobacterial CIII2CIV2 supercomplex, telacebec (Q203) bound

7RH7: “Mycobacterial CIII2CIV2 supercomplex, telacebec (Q203) bound”. Electron microscopy, 12 ligands (CDL, 9YF, MQ9). MolNFT v1 #186539 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7RH7
Type
protein
Length
6,072 residues
Chains
24
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
I7GFE1, I7GD63, A0R049, I7FPH7, I7FQK8, A0R1B5, A0QVH4, I7G2H6, I7FPH1, I7FGS8, I7GD61
Ligands
CDL, 9YF, MQ9, 9XX, PLM, HEA, 9Y0, HEC, HEM, HUU, FES, CU

Structure

electron microscopy · 12 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
W, c—protein158—I7GFE1
Q, K—protein312—I7GD63
R, L—protein552——
S, X—protein203—A0R049
T, Z—protein139—I7FPH7
U, a—protein79—I7FQK8
V, b—protein145—A0R1B5
P, J—protein92—A0QVH4
G, D—protein216—I7G2H6
O, I—protein223—I7FPH1
E, F—protein535—I7FGS8
Y, M—protein382—I7GD61

Ligands and binding sites

  • CDL · Cardiolipin · ligand · 16 copies · chains R, E, S, T, O, M, P, F, L, X, Z, I, Y, J
  • 9YF · (2R)-2-(hexadecanoyloxy)-3-{[(S)-hydroxy{[(1r,2r,3r,4r, 5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl (9S)-9-methyloctadecanoate · ligand · 8 copies · chains T, O, E, W, R, P, Z, I, F, L, J, c, Y, M
  • MQ9 · Menaquinone-9 · ligand · 6 copies · chains R, T, O, E, Y, M, L, Z, I, F
  • 9XX · (2S)-1-(hexadecanoyloxy)propan-2-yl (10S)-10-methyloctadecanoate · ligand · 4 copies · chains W, R, P, G, E, D, F, L, J, c
  • PLM · Palmitic acid · ligand · 4 copies · chains W, R, P, G, E, J, D, F, L, c
  • HEA · Heme-A · ligand · 4 copies · chains Q, R, K, L
  • 9Y0 · (2R)-3-(((2-aminoethoxy)(hydroxy)phosphoryl)oxy)-2-(palmitoyloxy)propyl (E)-octadec-9-enoate · ligand · 4 copies · chains R, S, T, W, Q, P, K, L, J, c, X, Z
  • HEC · Heme C · ligand · 4 copies · chains W, Q, O, M, K, c, I, Y
  • HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains E, F
  • HUU · 6-chloranyl-2-ethyl-N-[[4-[4-[4-(trifluoromethyloxy) phenyl]piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide · ligand · 2 copies · chains E, M, F, Y
  • FES · Fe2/s2 (inorganic) cluster · ligand · 2 copies · chains Y, M
  • CU · Copper (II) ion · metal · 6 copies · chains Q, R, K, L

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

Compared structures

  • 7RH7 · Mycobacterial CIII2CIV2 supercomplex, Telacebec (Q203) bound · the same entry in another collection · chain W against W, TM-score 1.00

Analyse

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