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MolNFT v1 · #168078 · protein

Structure of TDP1 catalytic domain in complex with inhibitor XZ633P

6W4R: “Structure of TDP1 catalytic domain in complex with inhibitor XZ633P”. X-ray diffraction, 1 ligand (SZV). MolNFT v1 #168078 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6W4R
Type
protein
Length
876 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q9NUW8
Ligands
SZV

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B—protein438—Q9NUW8

Ligands and binding sites

  • SZV · 4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzene-1,2-dicarboxylic acid · ligand · 2 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 5 copies · chains A, B
  • MPO · 3[N-morpholino]propane sulfonic acid · additive · chains A

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

Compared structures

  • 6W4R · Structure of Tdp1 catalytic domain in complex with inhibitor XZ633p · the same entry in another collection · chain A against A, TM-score 1.00

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