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MolNFT v1 · #129105 · protein

Crystal structure of mutant achbp in complex with tropisetron (T53F, Q74R, Y110A, I135S, G162E)

5OAJ: “Crystal structure of mutant achbp in complex with tropisetron (T53F, Q74R, Y110A, I135S, G162E)”. X-ray diffraction, 2 ligands (TKT, NAG). MolNFT v1 #129105 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5OAJ
Type
protein
Length
2,080 residues
Chains
10
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q8WSF8
Ligands
TKT, NAG

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, D, E, F, H, I—protein206—Q8WSF8
B—protein221—Q8WSF8
C, G—protein205—Q8WSF8
J—protein213—Q8WSF8

Ligands and binding sites

  • TKT · (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylate · ligand · 2 copies · chains D, E, F, J
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, E, J, H, I
  • EDO · 1,2-ethanediol · additive · 42 copies · chains A, B, C, D, E, F, G, J, H, I
  • FLC · Citrate anion · additive · 3 copies · chains C, D, G, H, I

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

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