Brand  (β version)

PDB ID: 5O6O

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
9MB 2-fluoranyl-3-[6-(4-fluoranyl-3-oxidanyl-phenoxy)pyridin-2-yl]phenol PoSSuM
NA Sodium ion PoSSuM
NAD Nicotinamide-adenine-dinucleotide PoSSuM
BGC Beta-D-glucopyranose PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 5O6O   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : 17beta-hydroxysteroid dehydrogenase 14 variant T205 in complex with a non-steroidal 2,6-pyridinketone inhibitor
Release Data : 2018-06-06
Compound :
mol_id molecule chains synonym
1 17-beta-hydroxysteroid dehydrogenase 14 A 17-beta-HSD 14,17-beta-hydroxysteroid dehydrogenase DHRS10,Dehydrogenase/reductase SDR family member 10,Retinal short-chain dehydrogenase/reductase retSDR3,Short chain dehydrogenase/reductase family 47C member 1
ec: 1.1.1.-
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli BL21(DE3)  (taxid:469008)
gene: HSD17B14, DHRS10, SDR3, SDR47C1, UNQ502/PRO474
expression_system_variant: pLysS
Authors : Bertoletti, N., Heine, A., Braun, F., Klebe, G., Marchais-Oberwinkler, S.
Keywords : non-steroidal inhibitor, 17beta-HSD14, 2, 6-pyridinketone inhibitors, Oxidoreductase
Exp. method : X-RAY DIFFRACTION ( 1.45 Å )
Citation :

Structure-based design and profiling of novel 17 beta-HSD14 inhibitors.

Braun, F.,Bertoletti, N.,Moller, G.  et al.
(2018)  Eur J Med Chem  155 : 61 - 76

PubMed: 29859505
DOI: 10.1016/j.ejmech.2018.05.029

Reaction

Chain : A
UniProt : Q9BPX1 (DHB14_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
L-fucose + NAD(+) = L-fucono-1,5-lactone + NADH + H(+) 1.1.1.122 PubMed:38944119
left-to-right
D-arabinose + NAD(+) = D-arabinono-1,5-lactone + NADH + H(+) 1.1.1.122 PubMed:38944119
left-to-right
L-galactose + NAD(+) = L-galactono-1,5-lactone + NADH + H(+) 1.1.1.122 PubMed:38944119
left-to-right