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Structure of rorgt bound to

Analyse Structure of rorgt bound to in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5UHI
Type: protein
Length: 446 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nuclear receptor ror-gamma
UniProt: P51449
Ligands: 8A4
Pockets: 7 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 61% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Nuclear receptor ror-gamma	protein	223	61% helix, 4% strand	P51449

Ligands and binding sites

8A4 · (R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl) phenyl]methyl}quinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol · ligand · 2 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	396	0.82	0.90	40	8A4
2	510	0.80	0.86	57	8A4
3	649	0.77	0.82	64	empty
4	119	0.58	0.84	23	empty
5	234	0.54	0.77	22	empty

Interfaces

1 interface between chains.

A–B · 825 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

5UHI · Structure of RORgt bound to · 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 5UHI · PDBe 5UHI · UniProt P51449

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