Inosine monophosphate dehydrogenase

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Stereospecific interaction or recognition of IN to C2 domain through <scene name='Journal:JBSD:1/Cv/12'>conserved water mediated salt bridge (K109 (NZ) --- D215 / D216 and K109 (NZ) --- WII1 --- D215 / D216)</scene> are observed to be unique in hIMPDH–II, which is not observed in type I isoform (1JCN). The geometrical and electronic consequences of <scene name='Journal:JBSD:1/Cv/14'>conserved water molecular interaction as shown in Figure 5 (K109 to acidic D215 / D216 and E217)</scene> and their stereo chemical features (specially in CBS --- IN inter-domain recognition site) may be used to design the actual topology of inhibitor for hIMPDH-II isoform using water mimic inhibitor design protocol. Possibly, heterocyclic ligand with flexible structure containing two or three basic and hydrophilic groups with suitable spacer length may be implemented to design the isoform selective inhibitor for CML cancer.
Stereospecific interaction or recognition of IN to C2 domain through <scene name='Journal:JBSD:1/Cv/12'>conserved water mediated salt bridge (K109 (NZ) --- D215 / D216 and K109 (NZ) --- WII1 --- D215 / D216)</scene> are observed to be unique in hIMPDH–II, which is not observed in type I isoform (1JCN). The geometrical and electronic consequences of <scene name='Journal:JBSD:1/Cv/14'>conserved water molecular interaction as shown in Figure 5 (K109 to acidic D215 / D216 and E217)</scene> and their stereo chemical features (specially in CBS --- IN inter-domain recognition site) may be used to design the actual topology of inhibitor for hIMPDH-II isoform using water mimic inhibitor design protocol. Possibly, heterocyclic ligand with flexible structure containing two or three basic and hydrophilic groups with suitable spacer length may be implemented to design the isoform selective inhibitor for CML cancer.
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</StructureSection>
 
==3D structures of inosine monophosphate dehydrogenase==
==3D structures of inosine monophosphate dehydrogenase==
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[[Inosine monophosphate dehydrogenase 3D structures]]
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Updated on {{REVISIONDAY2}}-{{MONTHNAME|{{REVISIONMONTH}}}}-{{REVISIONYEAR}}
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</StructureSection>
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{{#tree:id=OrganizedByTopic|openlevels=0|
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*IMPDH
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**[[1ak5]] – TfIMPDH – ''Tritrichomonas foetus'' <br />
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**[[1eep]] – IMPDH – ''Borellia burgdorferi'' <br />
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**[[1zfj]] – IMPDH catalytic domain – ''Streptococcus pyogenes'' <br />
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**[[1vrd]] – IMPDH – ''Thermotoga maritima'' <br />
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**[[3ffs]] – CpIMPDH – ''Cryptosporidium parvum''<br />
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**[[3r2g]] – IMPDH – ''Legionella pneumophila'' <br />
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**[[3tsb]], [[4mjm]], [[4myx]] – BaIMPDH (mutant) – ''Bacillus anthracis'' <br />
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**[[4fez]] – VcIMPDH – ''Vibrio cholerae'' <br />
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**[[4avf]], [[3zfh]] – PaIMPDH – ''Pseudomonas aeruginosa'' <br />
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**[[5ahl]] – PaIMPDH (mutant) <br />
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**[[4xwu]] – AgIMPDH (mutant) – ''Ashbya gossypii''<br />
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*IMPDH binary complex
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**[[1me8]] – TfIMPDH + ribavirin monophosphate <br />
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**[[1pvn]] – TfIMPDH catalytic domain + transition state analog <br />
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**[[1me9]] – TfIMPDH + inosinic acid <br />
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**[[2cu0]] – IMPDH + xanthosine monophosphate – ''Pyrococcus horikoshii''<br />
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**[[5upx]] – LmIMPDH + xanthosine monophosphate – ''Listeria monocytogenes''<br />
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**[[3tsd]] – BaIMPDH (mutant) + xanthosine monophosphate <br />
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**[[3usb]] – BaIMPDH + inosinic acid <br />
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**[[4ix2]] – VcIMPDH + inosinic acid <br />
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**[[4qq3]] – VcIMPDH (mutant) + XMP <br />
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**[[4dqw]] – PaIMPDH + ATP <br />
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**[[5ahm]], [[5ahn]] – PaIMPDH (mutant) + inosinic acid <br />
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**[[1jcn]] – hMPDH 1 + IMP derivative - human<br />
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**[[1jr1]] – hMPDH 2 + mycophenolic acid <br />
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**[[4r7j]] – CjIMPDH catalytic domain (mutant) + inosinic acid – ''Campylobacter jejuni''<br />
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**[[4xtd]], [[4xti]] – AgIMPDH (mutant) + inosinic acid <br />
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**[[4z0g]] – AgIMPDH (mutant) + GMP <br />
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**[[5mcp]] – AgIMPDH + ATP <br />
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*IMPDH ternary complex with inosinic acid and inhibitor
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**[[4ixh]], [[3khj]], [[4qj1]] – CpIMPDH catalytic domain + inhibitor + inosinic acid <br />
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**[[4rv8]] - CpIMPDH catalytic domain (mutant) + inhibitor + inosinic acid <br />
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**[[4zqn]], [[4zqo]], [[4zqp]], [[4zqr]], [[5upu]] - MtIMPDH catalytic domain + inhibitor + inosinic acid <br />
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**[[5upv]] - MtIMPDH catalytic domain (mutant) + inhibitor + inosinic acid <br />
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**[[5j5r]], [[5k4x]], [[5k4z]] - MrIMPDH + inhibitor + inosinic acid – ''Mycobacterium thermoresistibile''<br />
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**[[5urr]], [[5urs]], [[5uuv]], [[5uuw]], [[5uuz]] – BaIMPDH catalytic domain + inhibitor + inosinic acid <br />
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**[[4my1]], [[4mya]], [[4my9]], [[4qm1]] – BaIMPDH catalytic domain (mutant) + inhibitor + inosinic acid <br />
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**[[4mz1]], [[4mz8]] – CjIMPDH catalytic domain (mutant) + inhibitor + inosinic acid <br />
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**[[5urq]] – CjIMPDH catalytic domain + inhibitor + inosinic acid <br />
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**[[4q32]], [[4q33]] – MPDH + IMP + inhibitor – ''Clostridium perfringens'' <br />
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**[[5uwx]]]], [[5uxe]], [[5uzc]], [[5uze]], [[5uzs]], [[5vsv]] – CpMPDH (mutant) + IMP + inhibitor – ''Clostridium perfringens'' <br />
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**[[4af0]] – IMPDH + mycophenolic acid + inosinic acid – ''Cryptococcus neoformans''<br />
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**[[1b3o]] – hMPDH 2 + selenazole inhibitor + IMP derivative <br />
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**[[5upy]] - LmIMPDH catalytic domain + inhibitor + inosinic acid <br />
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*IMPDH other ternary complexes
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**[[1me7]] – TfIMPDH + ribavirin monophosphate + mycophenolic acid <br />
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**[[1lrt]] – TfIMPDH + adenine derivative + inosinic acid <br />
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**[[1meh]] – TfIMPDH + mycophenolic acid + inosinic acid <br />
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**[[1mei]] – TfIMPDH + mycophenolic acid + xanthosine monophosphate <br />
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**[[1mew]] – TfIMPDH + NAD + xanthosine monophosphate <br />
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**[[4zqm]] – MtIMPDH + NAD + xanthosine monophosphate – ''Mycobacterium tuberculosis''<br />
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**[[4fo4]], [[4fxs]] – VcIMPDH + mycophenolic acid + inosinic acid <br />
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**[[4qne]] – VcIMPDH (mutant) + NAD + IMP <br />
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**[[4x3z]] – VcIMPDH (mutant) + NAD + XMP <br />
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**[[1nfb]] – hMPDH 2 + NAD + IMP derivative <br />
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**[[1nf7]] – hMPDH 2 + mycophenolic adenine dinucleotide + ribavirin monophosphate <br />
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**[[4z87]] – AgIMPDH + GDP + GMP<br />
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**[[5tc3]] – AgIMPDH + ATP + GDP<br />
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}}
 
== References ==
== References ==
<references/>
<references/>
[[Category:Topic Page]]
[[Category:Topic Page]]

Current revision

Human IMPDH (1b3o)

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References

  1. ↑ Sintchak MD, Fleming MA, Futer O, Raybuck SA, Chambers SP, Caron PR, Murcko MA, Wilson KP. Structure and mechanism of inosine monophosphate dehydrogenase in complex with the immunosuppressant mycophenolic acid. Cell. 1996 Jun 14;85(6):921-30. PMID:8681386
  2. ↑ Price GM, Hoffbrand AV, Taheri MR, Evans JP. Inosine monophosphate dehydrogenase activity in acute leukaemia. Leuk Res. 1987;11(6):525-8. PMID:2885446
  3. ↑ Bairagya HR, Mukhopadhyay BP. An insight to the dynamics of conserved water-mediated salt bridge interaction and interdomain recognition in hIMPDH isoforms. J Biomol Struct Dyn. 2012 Aug 28. PMID:22928911 doi:10.1080/07391102.2012.712458

Proteopedia Page Contributors and Editors (what is this?)

Michal Harel, Alexander Berchansky

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