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PDBsum entry 3lbo

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protein ligands metals links
Oxidoreductase/oxidoreductase inhibitor PDB id
3lbo
Jmol
Contents
Protein chain
315 a.a. *
Ligands
NAP
LDT
CIT
Metals
_BR
Waters ×413
* Residue conservation analysis
PDB id:
3lbo
Name: Oxidoreductase/oxidoreductase inhibitor
Title: Human aldose reductase mutant t113c complexed with idd594
Structure: Aldose reductase. Chain: a. Synonym: ar, aldehyde reductase. Engineered: yes. Mutation: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: alr2. Expressed in: escherichia coli. Expression_system_taxid: 562.
Resolution:
1.10Å     R-factor:   0.114     R-free:   0.144
Authors: C.Koch,A.Heine,G.Klebe
Key ref: C.Koch et al. (2011). Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors. J Mol Biol, 406, 700-712. PubMed id: 21185307 DOI: 10.1016/j.jmb.2010.11.058
Date:
08-Jan-10     Release date:   15-Dec-10    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P15121  (ALDR_HUMAN) -  Aldose reductase
Seq:
Struc:
316 a.a.
315 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 2 residue positions (black crosses)

 Enzyme reactions 
   Enzyme class: E.C.1.1.1.21  - Aldehyde reductase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: Alditol + NAD(P)(+) = aldose + NAD(P)H
Alditol
+
NAD(P)(+)
Bound ligand (Het Group name = NAP)
corresponds exactly
= aldose
+ NAD(P)H
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Cellular component     extracellular space   4 terms 
  Biological process     small molecule metabolic process   8 terms 
  Biochemical function     electron carrier activity     5 terms  

 

 
    reference    
 
 
DOI no: 10.1016/j.jmb.2010.11.058 J Mol Biol 406:700-712 (2011)
PubMed id: 21185307  
 
 
Tracing the detail: how mutations affect binding modes and thermodynamic signatures of closely related aldose reductase inhibitors.
C.Koch, A.Heine, G.Klebe.
 
  ABSTRACT  
 
No abstract given.