GL1X · GenesisL1 explorer

MolNFT v1 · #161133 · protein

Fusidic acid bound ACRB_N298A

6Q4P: “Fusidic acid bound ACRB_N298A”. X-ray diffraction, 10 ligands (DDQ, D12, PTY). MolNFT v1 #161133 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6Q4P
Type
protein
Length
3,420 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P31224
Ligands
DDQ, D12, PTY, FUA, DDR, D10, C14, ETE, CL, SO4

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein1042—P31224
B, C—protein1034—P31224
D—protein156——
E—protein154——

Ligands and binding sites

  • DDQ · Decylamine-N,N-dimethyl-N-oxide · ligand · 6 copies · chains A, B, C
  • D12 · Dodecane · ligand · 3 copies · chains A, B, C
  • PTY · Phosphatidylethanolamine · ligand · 2 copies · chains B, C
  • FUA · Fusidic acid · ligand · chains B
  • DDR · (2S)-3-hydroxypropane-1,2-diyl didecanoate · ligand · chains B
  • D10 · Decane · ligand · chains B
  • C14 · Tetradecane · ligand · chains C
  • ETE · 2-{2-[2-2-(methoxy-ethoxy)-ethoxy]-ethoxy}-ethanol · ligand · chains C
  • CL · Chloride ion · ion · 5 copies · chains B, C
  • SO4 · Sulfate ion · ion · 2 copies · chains B, C
  • LMT · Dodecyl-beta-D-maltoside · additive · 10 copies · chains A, C, B
  • GOL · Glycerol · additive · 6 copies · chains A, C, B, E
  • OCT · N-octane · additive · 3 copies · chains B, C
  • HEX · Hexane · additive · 2 copies · chains A

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

Compared structures

  • 6Q4P · Fusidic acid bound AcrB_N298A · the same entry in another collection · chain E against E, TM-score 1.00
  • P31224 · AlphaFold monomer V2.0 prediction for multidrug efflux pump subunit acrb (P31224) · a predicted model of the same protein · chain C against A, TM-score 0.99

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