MolNFT v1 · #173544 · protein

Allene-based design of a noncalcemic vitamin D receptor agonist

7B39: “Allene-based design of a noncalcemic vitamin D receptor agonist”. X-ray diffraction, 1 ligand (T0H). MolNFT v1 #173544 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7B39
Type: protein
Length: 251 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: Q9PTN2, Q15788
Ligands: T0H

Structure

x-ray diffraction · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	240	—	Q9PTN2
B	—	protein	11	—	Q15788

Ligands and binding sites

T0H · (1R,3S,Z)-5-(2-((3aS,7aS,E)-1-(6-hydroxy-6-methylhept-1-en-1-ylidene)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-4-methylenecyclohexane-1,3-diol · ligand · chains A
ACT · Acetate ion · additive · chains A

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

Compared structures

7B39 · Allene-Based Design of a Noncalcemic Vitamin D Receptor Agonist · the same entry in another collection · chain A against A, TM-score 1.00
Q9PTN2 · AlphaFold monomer V2.0 prediction for vitamin D3 receptor a (Q9PTN2) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 Q9PTN2
Every structure of UniProt Q15788
Elsewhere: RCSB PDB 7B39 · PDBe 7B39 · UniProt Q9PTN2 · UniProt Q15788

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