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Crystal structure of rorgammat with ligand C46D bound

Analyse Crystal structure of rorgammat with ligand C46D bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6LO9
Type
protein
Length
259 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nuclear receptor ror-gamma
UniProt
P51449
Ligands
ENU
Pockets
4 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 70% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANuclear receptor ror-gammaprotein25970% helix, 4% strandP51449

Ligands and binding sites

  • ENU · 6-cyclohexyloxy-9-ethyl-~{N}-[(4-ethylsulfonylphenyl) methyl]carbazole-3-carboxamide · ligand · chains A

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

Pockets

4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14230.830.9038ENU
2670.410.8016empty
3870.360.7518empty
4670.310.7413empty

Compared structures

  • 6LO9 · Crystal structure of RORgammat with ligand C46D bound · the same entry in another collection · chain A against A, TM-score 1.00

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