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MolNFT v1 · #59899 · protein

Cellular retinoic acid binding protein II in complex with a synthetic retinoic acid (ro-12 7310)

3CBS · Protein (crabp-II): “Cellular retinoic acid binding protein II in complex with a synthetic retinoic acid (ro-12 7310)”. X-ray diffraction, 1 ligand (R12), 1 pocket (best druggability 0.79). MolNFT v1 #59899 on GenesisL1: 3D…

PDB
3CBS
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
R12
Pockets
1 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 12% helix, 54% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein (crabp-II)protein13712% helix, 54% strandP29373

Ligands and binding sites

  • R12 · (2E,4E,6E,8E)-9-(4-hydroxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic 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
12900.790.9041R12

Compared structures

  • 3CBS · 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

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