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MolNFT v1 · #128545 · protein

Structural states of rorgt: X-ray elucidation of molecular mechanisms and binding interactions for natural and synthetic compounds

5NU1: “Structural states of rorgt: X-ray elucidation of molecular mechanisms and binding interactions for natural…”. X-ray diffraction, 1 ligand (8YB). MolNFT v1 #128545 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5NU1
Type
protein
Length
507 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P51449, P48552
Ligands
8YB

Structure

x-ray diffraction · 3 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B—protein245—P51449
P—protein8—P48552
Q—protein9—P48552

Ligands and binding sites

  • 8YB · ~{N}-[4-(3-chlorophenyl)-5-(2-chlorophenyl)carbonyl-1, 3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)ethanamide · ligand · 2 copies · chains A, B

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

Compared structures

  • 5NU1 · Structural states of RORgt: X-ray elucidation of molecular mechanisms and binding… · the same entry in another collection · chain A against A, TM-score 1.00
  • P48552 · AlphaFold monomer V2.0 prediction for nuclear receptor-interacting protein 1 (P48552) · a predicted model of the same protein · chain P against A, TM-score 0.87

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