MolNFT v1 · #151332 · protein

Human cellular retinoic acid binding protein II (crabpii) with bound synthetic retinoid DC271.

6HKR · Cellular retinoic acid-binding protein 2: “Human cellular retinoic acid binding protein II (crabpii) with bound synthetic retinoid DC271.”. X-ray diffraction, 1 ligand (G9Q), 1 pocket (best druggability 0.78). MolNFT v1 #151332 on…

PDB: 6HKR
Type: protein
Length: 138 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cellular retinoic acid-binding protein 2
UniProt: P29373
Ligands: G9Q
Pockets: 1 · best druggability 0.78

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cellular retinoic acid-binding protein 2	protein	138	13% helix, 54% strand	P29373

Ligands and binding sites

G9Q · 4-[2-(4,4-dimethyl-1-propan-2-yl-2,3-dihydroquinolin-6-yl)ethynyl]benzoic acid · ligand · chains A
GOL · Glycerol · additive · 2 copies · chains A
EDO · 1,2-ethanediol · additive · chains A
PG4 · Tetraethylene glycol · additive · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	287	0.78	0.90	40	EDO, G9Q

Compared structures

6HKR · Human Cellular Retinoic Acid Binding Protein II (CRABPII) with bound synthetic retinoid… · the same entry in another collection · chain A against A, TM-score 1.00

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 P29373
Elsewhere: RCSB PDB 6HKR · PDBe 6HKR · UniProt P29373

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