Human Aldose Reductase mutant T113A complexed with IDD 594 DOI:10.2210/pdb3lql/pdb

3LQL   Display Files  close FASTA Sequence PDB File PDB File (Header) mmCIF File mmCIF File (Header) PDBML/XML File PDBML/XML File (Header)   Download Files  close FASTA Sequence PDB File (Text) PDB File (gz) mmCIF File mmCIF File (gz) PDBML/XML File PDBML/XML File (gz) Structure Factor (Text) Structure Factor (gz) Biological Assembly (gz) (A+S)   Share this Page  close Facebook Twitter LinkedIn Email Link this Page

Primary Citation       Related Citations in PDB Entry (REMARK 1) Hide     Molecular Description Hide Classification: Oxidoreductase/oxidoreductase Inhibitor Structure Weight: 37300.28 Molecule: Aldose reductase Polymer: 1 Type: protein Length: 316 Chains: A EC#: 1.1.1.21    Mutation: T113A 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 1US0  HUMAN ALDOSE REDUCTASE IN COMPLEX WITH NADP+ AND THE INHIBITOR IDD594 AT 0.66 ANGSTROM  3LBO  Human Aldose Reductase mutant T113C complexed with IDD594  3LD5  Human Aldose Reductase mutant T113S complexed with IDD594  3LEP    3LQG  Human Aldose Reductase mutant T113A complexed with IDD388  3LZ3    3LZ5    3M4H        Ligand Chemical Component Hide Identifier Formula Name Interactions BR Search  Download  Br BROMIDE ION   Ligand Explorer CIT Search  Download  C6 H8 O7 CITRIC ACID   Ligand Explorer LDT Search  Download  C16 H12 Br F2 N O3 S IDD594   Ligand Explorer NAP Search  Download  C21 H28 N7 O17 P3 NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE   Ligand Explorer     External Ligand Annotations Hide Identifier   Binding Affinity (Sequence Identity %) LDT Search  Download  IC50: 30 nM (99) - data from BindingDB   ΔG: -40.9 - -31.3 kJ/mol (99) - data from BindingDB   -TΔS: -22.6 - 8 kJ/mol (99) - data from BindingDB   Kd: 1640 nM - data from BindingMOAD   N/A in PDBbind     External Domain Annotations Hide 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 and generated by PISA (software) Downloadable viewers: Simple Viewer Protein Workshop Ligand Explorer Kiosk Viewer Other Viewers  KiNG WebMol QuickPDB FirstGlance         MyPDB Personal Annotations Hide     Deposition Summary Hide Authors:   Koch, C.,  Heine, A.,  Klebe, G. Deposition:   2010-02-09 Release:   2010-12-15 Last Modified (REVDAT):   2011-08-24     Revision History    Hide Mouse over text for details 2011-08-24 Citation 2011-07-13 Version format compliance     Experimental Details Hide Method:   X-RAY DIFFRACTION Exp. Data:   Structure Factors EDS   Resolution[Å]:   1.13 R-Value: 0.101 (obs.) R-Free: 0.127 Space Group: P 21 Unit Cell:   Length [Å] Angles [°] a = 49.29 α = 90.00  b = 66.91 β = 92.22  c = 47.36 γ = 90.00      Molecule of the Month Hide Anabolic Steroids