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MolNFT v1 · #185541 · protein

Crystal structure of tpado in complex with 2-oh-tpa

7Q06: “Crystal structure of tpado in complex with 2-oh-tpa”. X-ray diffraction, 4 ligands (FES, 8IB, FE). MolNFT v1 #185541 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7Q06
Type
protein
Length
1,764 residues
Chains
7
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q3C1E2, Q3C1D5, P00698
Ligands
FES, 8IB, FE, SO4

Structure

x-ray diffraction · 5 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C—protein154—Q3C1E2
D—protein389—Q3C1D5
E—protein403—Q3C1D5
F—protein381—Q3C1D5
H—protein129—P00698

Ligands and binding sites

  • FES · Fe2/s2 (inorganic) cluster · ligand · 3 copies · chains D, E, F
  • 8IB · 2-Hydroxyterephthalic acid · ligand · 3 copies · chains D, E, F
  • FE · Fe (III) ion · metal · 2 copies · chains D, F
  • SO4 · Sulfate ion · ion · 6 copies · chains B, A, C, D, E, F, H

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

Compared structures

  • 7Q06 · Crystal structure of TPADO in complex with 2-OH-TPA · the same entry in another collection · chain H against H, TM-score 1.00
  • Q3C1D5 · AlphaFold monomer V2.0 prediction for terephthalate 1,2-dioxygenase, terminal oxygenase… · a predicted model of the same protein · chain F against A, TM-score 0.98
  • Q3C1E2 · AlphaFold monomer V2.0 prediction for terephthalate 1,2-dioxygenase, terminal oxygenase… · a predicted model of the same protein · chain A against A, TM-score 0.98

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