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MolNFT v1 · #147229 · protein

Crystal structure of human cellular retinol-binding protein 4 in complex with abnormal-cannabidiol (abn-cbd)

6E6K · Retinoid-binding protein 7: “Crystal structure of human cellular retinol-binding protein 4 in complex with abnormal-cannabidiol (abn-cbd)”. X-ray diffraction, 1 ligand (HVD), 1 pocket (best druggability 0.82). MolNFT v1 #147229 on…

PDB
6E6K
Type
protein
Length
134 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Retinoid-binding protein 7
UniProt
Q96R05
Ligands
HVD
Pockets
1 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 13% helix, 54% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARetinoid-binding protein 7protein13413% helix, 54% strandQ96R05

Ligands and binding sites

  • HVD · (1'R,2'R)-5'-methyl-6-pentyl-2'-(prop-1-en-2-yl)-1',2', 3',4'-tetrahydro[1,1'-biphenyl]-2,4-diol · ligand · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13320.820.9140HVD

Compared structures

  • 6E6K · Crystal structure of human cellular retinol-binding protein 4 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q96R05 · AlphaFold monomer V2.0 prediction for retinoid-binding protein 7 (Q96R05) · a predicted model of the same protein · chain A against A, TM-score 0.97

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