Research workbench

Crystal structure of rar-related orphan receptor C (nhis-RORGT(244-487)-L6-SRC1(678-692) in complex with a novel tricyclic-carbocylic rorgt inverse agonist

Analyse Crystal structure of rar-related orphan receptor C… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7KQJ
Type: protein
Length: 253 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 2.645
Source: Homo sapiens
Molecule: Nuclear receptor ROR-gamma
UniProt: P51449
Ligands: Z8G
Pockets: 3 · best druggability 0.85

Structure

x-ray diffraction · resolution 2.645 · 1 distinct chain · 71% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nuclear receptor ROR-gamma	protein	253	71% helix, 4% strand	P51449

Ligands and binding sites

Z8G · N-[(3r,3as,9bs)-9B-[(4-fluorophenyl)sulfonyl]-7-(1,1,1, 2,3,3,3-heptafluoropropan-2-yl)-2,3,3A,4,5,9B-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-hydroxy-2-methylpropanamide · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	484	0.85	0.91	41	Z8G
2	169	0.46	0.76	19	empty
3	93	0.38	0.76	15	empty

Compared structures

7KQJ · Crystal structure of rar-related orphan receptor C (nhis-RORGT(244- 487)-L6-SRC1(678-692)… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P51449
Elsewhere: RCSB PDB 7KQJ · PDBe 7KQJ · UniProt P51449

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.