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Crystal structure of VDR ligand binding domain complexed to calcipotriol.

Analyse Crystal structure of VDR ligand binding domain complexed to calcipotriol. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1S19
Type: protein
Length: 253 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 2.1
Source: Homo sapiens
Molecule: Vitamin D3 receptor
UniProt: P11473
Ligands: MC9
Pockets: 2 · best druggability 0.86

Structure

x-ray diffraction · resolution 2.1 · 1 distinct chain · 66% helix, 3% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Vitamin D3 receptor	protein	253	66% helix, 3% strand	P11473

Ligands and binding sites

MC9 · Calcipotriol · 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	319	0.86	0.95	35	MC9
2	50	0.28	0.75	11	empty

Compared structures

1S19 · Crystal structure of vdr ligand binding domain complexed to calcipotriol. · the same entry in another collection · chain A against A, TM-score 1.00
P11473 · AlphaFold monomer V2.0 prediction for vitamin D3 receptor (P11473) · a predicted model of the same protein · chain A against A, TM-score 0.95

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 P11473
Elsewhere: RCSB PDB 1S19 · PDBe 1S19 · UniProt P11473

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