2f2k
From Proteopedia
| Line 4: | Line 4: | ||
|PDB= 2f2k |SIZE=350|CAPTION= <scene name='initialview01'>2f2k</scene>, resolution 1.94Å | |PDB= 2f2k |SIZE=350|CAPTION= <scene name='initialview01'>2f2k</scene>, resolution 1.94Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene> | + | |LIGAND= <scene name='pdbligand=NDP:NADPH+DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE+PHOSPHATE'>NDP</scene>, <scene name='pdbligand=TGG:GAMMA-GLUTAMYL-S-(1,2-DICARBOXYETHYL)CYSTEINYLGLYCINE'>TGG</scene> |
| - | |ACTIVITY= [http://en.wikipedia.org/wiki/Aldehyde_reductase Aldehyde reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.21 1.1.1.21] | + | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Aldehyde_reductase Aldehyde reductase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=1.1.1.21 1.1.1.21] </span> |
|GENE= AKR1B1, ALDR1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | |GENE= AKR1B1, ALDR1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY=[[1ads|1ADS]] | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2f2k FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2f2k OCA], [http://www.ebi.ac.uk/pdbsum/2f2k PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2f2k RCSB]</span> | ||
}} | }} | ||
| Line 30: | Line 33: | ||
[[Category: Watowich, S J.]] | [[Category: Watowich, S J.]] | ||
[[Category: White, M A.]] | [[Category: White, M A.]] | ||
| - | [[Category: NDP]] | ||
| - | [[Category: TGG]] | ||
[[Category: dicarboxyethyl glutathione]] | [[Category: dicarboxyethyl glutathione]] | ||
[[Category: glutathione]] | [[Category: glutathione]] | ||
| Line 37: | Line 38: | ||
[[Category: tertiary complex]] | [[Category: tertiary complex]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:57:07 2008'' |
Revision as of 23:57, 30 March 2008
| |||||||
| , resolution 1.94Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , | ||||||
| Gene: | AKR1B1, ALDR1 (Homo sapiens) | ||||||
| Activity: | Aldehyde reductase, with EC number 1.1.1.21 | ||||||
| Related: | 1ADS
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Aldose reductase tertiary complex with NADPH and DEG
Overview
Aldose reductase (AR) is a monomeric NADPH-dependent oxidoreductase that catalyzes the reduction of aldehydes, ketones, and aldo-sugars. AR has been linked to the development of hyperglycemic injury and is a clinical target for the treatment of secondary diabetic complications. In addition to reducing glucose, AR is key regulator of cell signaling through it's reduction of aldehydes derived from lipoproteins and membrane phospholipids. AR catalyzes the reduction of glutathione conjugates of unsaturated aldehydes with higher catalytic efficiency than free aldehydes. The X-ray structure of human AR holoenzyme in complex with the glutathione analogue S-(1,2-dicarboxyethyl) glutathione (DCEG) was determined at a resolution of 1.94 A. The distal carboxylate group of DCEG's dicarboxyethyl moiety interacted with the conserved AR anion binding site residues Tyr48, His110, and Trp111. The bound DCEG's glutathione backbone adopted the low-energy Y-shape form. The C-terminal carboxylate of DCEG glutathione's glycine formed hydrogen bonds to Leu301 and Ser302, while the remaining interactions between DCEG and AR were hydrophobic, permitting significant flexibility of the AR and glutathione (GS) analogue interaction. The observed conformation and interactions of DCEG with AR were consistent with our previously published molecular dynamics model of glutathionyl-propanal binding to AR. The current structure identifies major interactions of glutathione conjugates with the AR active-site residues.
About this Structure
2F2K is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Structure of a glutathione conjugate bound to the active site of aldose reductase., Singh R, White MA, Ramana KV, Petrash JM, Watowich SJ, Bhatnagar A, Srivastava SK, Proteins. 2006 Jul 1;64(1):101-10. PMID:16639747
Page seeded by OCA on Mon Mar 31 02:57:07 2008
