Human aldose reductase mutant F121P complexed with zopolrestat. DOI:10.2210/pdb2pdb/pdb

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Primary Citation       Related Citations in PDB Entry (REMARK 1) Hide     Molecular Description Hide Classification: Oxidoreductase Structure Weight: 37011.39 Molecule: Aldose reductase Polymer: 1 Type: protein Length: 316 Chains: A EC#: 1.1.1.21    Mutation: F121P Organism Homo sapiens Gene Names AKR1B1 ALDR1 UniProtKB:   Protein Feature View | Search PDB | P15121         Source Hide Polymer: 1 Scientific Name: Homo sapiens   Taxonomy   Common Name: Human Expression System: Escherichia coli       Related PDB Entries Hide Identifier Details 2HVN  Human Aldose Reductase-zopolrestat complex obtained by cocrystallisation after one day (1day_cocryst)  2PD5    2PD9    2PDC    2PDF    2PDG    2PDH    2PDI    2PDJ    2PDK    2PDL    2PDM    2PDN    2PDP    2PDQ    2PDU    2PDW    2PDX    2PDY        Ligand Chemical Component Hide Identifier Formula Name Interactions NAP Search  Download  C21 H28 N7 O17 P3 NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE   Ligand Explorer ZST Search  Download  C19 H12 F3 N3 O3 S 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2- BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID   Ligand Explorer     External Ligand Annotations Hide Identifier   Binding Affinity (Sequence Identity %) ZST Search  Download  IC50: 1.9 - 81 nM (85 - 99) - data from BindingDB   Ki: 19 nM (99) - data from BindingDB   Kd: 97 nM - data from BindingMOAD   N/A in PDBbind     External Domain Annotations Hide CATH Classification v3.4.0: 1 Domain - data from CATH   Pfam Classification: 1 Domain - data from Pfam   GO Terms: 18 Terms - data from GO      Structural Biology Knowledgebase Data Hide     Data in orange boxes are gathered from external resources (when available). Reset Layout

Biological Assembly            View in 3D More Images... Biological assembly 1 assigned by authors Downloadable viewers: Simple Viewer Protein Workshop Ligand Explorer Kiosk Viewer Other Viewers  KiNG WebMol QuickPDB FirstGlance         MyPDB Personal Annotations Hide     Deposition Summary Hide Authors:   Steuber, H.,  Heine, A.,  Klebe, G. Deposition:   2007-03-31 Release:   2008-04-01 Last Modified (REVDAT):   2009-02-24     Revision History    Hide Mouse over text for details 2011-07-13 Version format compliance     Experimental Details Hide Method:   X-RAY DIFFRACTION Exp. Data:   Structure Factors EDS   Resolution[Å]:   1.60 R-Value: 0.158 (obs.) R-Free: 0.207 Space Group: P 1 Unit Cell:   Length [Å] Angles [°] a = 40.25 α = 75.78  b = 47.16 β = 67.40  c = 47.44 γ = 77.02      Molecule of the Month Hide Anabolic Steroids