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Cellular retinoic acid binding protein II in complex with a synthetic retinoic acid (ro-13 6307)

Analyse Cellular retinoic acid binding protein II in complex with a synthetic retinoic… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2CBS
Type
protein
Length
137 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein (crabp-II)
UniProt
P29373
Ligands
R13
Pockets
1 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 13% helix, 55% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein (crabp-II)protein13713% helix, 55% strandP29373

Ligands and binding sites

  • R13 · 3-methyl-7-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl) -octa-2,4,6-trienoic acid · 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
13260.770.8841R13

Compared structures

  • 2CBS · Cellular retinoic acid binding protein II in complex with a synthetic retinoic acid… · the same entry in another collection · chain A against A, TM-score 1.00
  • P29373 · AlphaFold monomer V2.0 prediction for cellular retinoic acid-binding protein 2 (P29373) · a predicted model of the same protein · chain A against A, TM-score 0.99

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