Crystal structure of human DEHYDROGENASE/REDUCTASE (sdr family) member 4 (DHRS4)

Structure

x-ray diffraction · 4 distinct chains · 50% helix, 15% strand (DSSP).

Ligands and binding sites

• NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 4 copies · chains A, B, C, D
• EDO · 1,2-ethanediol · additive · 4 copies · chains A, C, B, D
• GOL · Glycerol · additive · 2 copies · chains B, C
• EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A

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

Pockets

9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Interfaces

6 interfaces between chains.

• C–D · 1619 Ų buried · 20 hydrogen bonds · protein-protein
• A–B · 1602 Ų buried · 17 hydrogen bonds · protein-protein
• A–C · 1545 Ų buried · 30 hydrogen bonds · protein-protein
• B–D · 1539 Ų buried · 30 hydrogen bonds · protein-protein
• B–C · 280 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

• 3O4R · Crystal Structure of Human Dehydrogenase/Reductase (SDR family) member 4 (DHRS4) · the same entry in another collection · chain D against D, TM-score 1.00
• Q9BTZ2 · AlphaFold monomer V2.0 prediction for DEHYDROGENASE/REDUCTASE sdr family member 4 (Q9BTZ2) · a predicted model of the same protein · chain B against A, TM-score 0.98

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 Q9BTZ2
• Elsewhere: RCSB PDB 3O4R · PDBe 3O4R · UniProt Q9BTZ2