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MolNFT v1 · #146447 · protein

Crystal structure of TDP1 catalytic domain in complex with zenobia fragment ZT0911 from cocktail soak

6DHU: “Crystal structure of TDP1 catalytic domain in complex with zenobia fragment ZT0911 from cocktail soak”. X-ray diffraction, 1 ligand (GHM). MolNFT v1 #146447 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6DHU
Type
protein
Length
875 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q9NUW8
Ligands
GHM

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein437—Q9NUW8
B—protein438—Q9NUW8

Ligands and binding sites

  • GHM · benzene-1,2,4-tricarboxylic acid · ligand · 2 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 10 copies · chains A, B

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

Compared structures

  • 6DHU · Crystal structure of Tdp1 catalytic domain in complex with Zenobia fragment ZT0911 from… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9NUW8 · AlphaFold monomer V2.0 prediction for tyrosyl-DNA phosphodiesterase 1 (Q9NUW8) · a predicted model of the same protein · chain B against A, TM-score 0.99

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