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PDBsum entry 2x1h

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protein ligands Protein-protein interface(s) links
Oxidoreductase PDB id
2x1h

 

 

 

 

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Contents
Protein chain
340 a.a. *
Ligands
EDO ×4
NAP ×2
X1H ×4
Waters ×582
* Residue conservation analysis
PDB id:
2x1h
Name: Oxidoreductase
Title: Crystal structure of the human mgc45594 gene product in complex with raloxifene
Structure: Zinc-binding alcohol dehydrogenase domain-containing protein 2. Chain: a, b. Fragment: residues 33-371. Synonym: mgc45594 gene product. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Expressed in: escherichia coli. Expression_system_taxid: 469008.
Resolution:
1.75Å     R-factor:   0.210     R-free:   0.243
Authors: N.Shafqat,W.W.Yue,A.C.W.Pike,F.Niesen,E.Ugochukwu,T.Krojer, A.Chaikuad,C.Smee,C.Arrowsmith,J.Weigelt,A.Edwards,C.Bountra, U.Oppermann
Key ref: N.Shafqat et al. Crystal structure of the human mgc45594 gene product complex with raloxifene. To be published, .
Date:
24-Dec-09     Release date:   10-Nov-10    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chains
Pfam   ArchSchema ?
Q8N4Q0  (PTGR3_HUMAN) -  Prostaglandin reductase 3 from Homo sapiens
Seq:
Struc:
377 a.a.
340 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.1.3.1.48  - 15-oxoprostaglandin 13-reductase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction:
1. 13,14-dihydro-15-oxo-prostaglandin E2 + NADP+ = 15-oxoprostaglandin E2 + NADPH + H+
2. 13,14-dihydro-15-oxo-prostaglandin E2 + NAD+ = 15-oxoprostaglandin E2 + NADH + H+
13,14-dihydro-15-oxo-prostaglandin E2
+
NADP(+)
Bound ligand (Het Group name = NAP)
corresponds exactly
= 15-oxoprostaglandin E2
+ NADPH
+ H(+)
13,14-dihydro-15-oxo-prostaglandin E2
+
NAD(+)
Bound ligand (Het Group name = NAP)
matches with 91.67% similarity
= 15-oxoprostaglandin E2
+ NADH
+ H(+)
Molecule diagrams generated from .mol files obtained from the KEGG ftp site

 

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