MolNFT v2 · #156579 · protein

Crystal structure of dimeric RXR-LBD complexed with partial agonist NEt-4IB and TIF2 co-activator

6LB6 · Retinoic acid receptor RXR-alpha: “Crystal structure of dimeric RXR-LBD complexed with partial agonist NEt-4IB and TIF2 co-activator”. X-ray diffraction at 2.4, 1 ligand (E8O), 2 pockets (best druggability 0.84). MolNFT v2 #156579…

PDB: 6LB6
Type: protein
Length: 221 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 2.4
Source: Homo sapiens; SYNTHETIC CONSTRUCT
Molecule: Retinoic acid receptor RXR-alpha; Nuclear receptor coactivator 2
UniProt: P19793, Q15596
Ligands: E8O
Pockets: 2 · best druggability 0.84

Structure

x-ray diffraction · resolution 2.4 · 2 distinct chains · 70% helix, 3% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Retinoic acid receptor RXR-alpha	protein	211	70% helix, 3% strand	P19793
B	Nuclear receptor coactivator 2	protein	10	80% helix, 0% strand	Q15596

Ligands and binding sites

E8O · 6-[ethyl-[4-(2-methylpropoxy)-3-propan-2-yl-phenyl]amino]pyridine-3-carboxylic acid · ligand · chains A

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

Pockets

2 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	238	0.84	0.96	29	E8O
2	104	0.36	0.74	21	empty

Interfaces

1 interface between chains.

A–B · 578 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

6LB6 · Crystal structure of dimeric rxr-lbd complexed with partial agonist net-4IB and TIF2… · 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 P19793
Every structure of UniProt Q15596
Elsewhere: RCSB PDB 6LB6 · PDBe 6LB6 · UniProt P19793 · UniProt Q15596

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