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Ligand complex of rorg lbd

Analyse Ligand complex of rorg lbd in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6R7K
Type: protein
Length: 264 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nuclear receptor ror-gamma; SRC2 peptide
UniProt: P51449
Ligands: JUH, NA
Pockets: 3 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 72% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nuclear receptor ror-gamma	protein	252	73% helix, 4% strand	P51449
C	SRC2 peptide	protein	12	50% helix, 0% strand	—

Ligands and binding sites

JUH · (2~{R})-2-(4-ethylsulfonylphenyl)-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-2-(2-phenylethanoylamino)ethanamide · ligand · chains A
NA · Sodium ion · metal · chains A
DMS · Dimethyl sulfoxide · additive · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	332	0.82	0.91	35	JUH, DMS
2	183	0.51	0.77	29	empty
3	67	0.40	0.80	15	NA

Interfaces

1 interface between chains.

A–C · 592 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

6R7K · Ligand complex of RORg LBD · 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 6R7K · PDBe 6R7K · UniProt P51449

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