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Inosine monophosphate dehydrogenase: Difference between revisions

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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.
==3D structures of inosine monophosphate dehydrogenase==
[[Inosine monophosphate dehydrogenase 3D structures]]
</StructureSection>
</StructureSection>


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**[[3tsb]], [[4mjm]], [[4myx]] – BaIMPDH (mutant) – ''Bacillus anthracis'' <br />
**[[3tsb]], [[4mjm]], [[4myx]] – BaIMPDH (mutant) – ''Bacillus anthracis'' <br />
**[[4fez]] – VcIMPDH – ''Vibrio cholerae'' <br />
**[[4fez]] – VcIMPDH – ''Vibrio cholerae'' <br />
**[[4avf]], [[3zfh]] – PaIMPDH – ''Pseudomonas aeruginosa'' <br />
**[[4avf]], [[3zfh]], [[6gjv]] – PaIMPDH – ''Pseudomonas aeruginosa'' <br />
**[[5ahl]] – PaIMPDH (mutant) <br />
**[[5ahl]] – PaIMPDH (mutant) <br />
**[[4xwu]] – AgIMPDH (mutant) – ''Ashbya gossypii''<br />
**[[4xwu]] – AgIMPDH (mutant) – ''Ashbya gossypii''<br />
**[[6kcf]] – IMPDH – ''Liberibacter asiaticus'' <br />


*IMPDH binary complex
*IMPDH binary complex


**[[1jcn]] – hMPDH 1 + IMP derivative - human<br />
**[[1jr1]] – hMPDH 2 + mycophenolic acid <br />
**[[6i0m]] – hMPDH 2 + GDP<br />
**[[6i0o]] – hMPDH 2 + GTP<br />
**[[1me8]] – TfIMPDH + ribavirin monophosphate  <br />
**[[1me8]] – TfIMPDH + ribavirin monophosphate  <br />
**[[1pvn]] – TfIMPDH catalytic domain + transition state analog <br />
**[[1pvn]] – TfIMPDH catalytic domain + transition state analog <br />
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**[[2cu0]] – IMPDH + xanthosine monophosphate – ''Pyrococcus horikoshii''<br />
**[[2cu0]] – IMPDH + xanthosine monophosphate – ''Pyrococcus horikoshii''<br />
**[[5upx]] – LmIMPDH + xanthosine monophosphate – ''Listeria monocytogenes''<br />
**[[5upx]] – LmIMPDH + xanthosine monophosphate – ''Listeria monocytogenes''<br />
**[[3usb]] – BaIMPDH + inosinic acid <br />
**[[6mgu]] – BaIMPDH + oxaosine monophosphate <br />
**[[3tsd]] – BaIMPDH (mutant) + xanthosine monophosphate <br />
**[[3tsd]] – BaIMPDH (mutant) + xanthosine monophosphate <br />
**[[3usb]] – BaIMPDH + inosinic acid <br />
**[[4ix2]] – VcIMPDH + inosinic acid <br />
**[[4ix2]] – VcIMPDH + inosinic acid <br />
**[[4qq3]] – VcIMPDH (mutant) + XMP <br />
**[[4qq3]] – VcIMPDH (mutant) + XMP <br />
**[[4dqw]] – PaIMPDH + ATP <br />
**[[4dqw]] – PaIMPDH + ATP <br />
**[[6gk9]] – PaIMPDH + inhibitor <br />
**[[5ahm]], [[5ahn]] – PaIMPDH (mutant) + inosinic acid <br />
**[[5ahm]], [[5ahn]] – PaIMPDH (mutant) + inosinic acid <br />
**[[1jcn]] – hMPDH 1 + IMP derivative - human<br />
**[[6mgr]] – CjIMPDH catalytic domain + oxanosin monophosphate – ''Campylobacter jejuni''<br />
**[[1jr1]] – hMPDH 2 + mycophenolic acid <br />
**[[4r7j]] – CjIMPDH catalytic domain (mutant) + inosinic acid <br />
**[[4r7j]] – CjIMPDH catalytic domain (mutant) + inosinic acid – ''Campylobacter jejuni''<br />
**[[5uqh]], [[5uqf]], [[5uqg]] – CjIMPDH catalytic domain (mutant) + inhibitor<br />
**[[5uqh]], [[5uqf]], [[5uqg]] – CjIMPDH catalytic domain (mutant) + inhibitor<br />
**[[4xtd]], [[4xti]] – AgIMPDH (mutant) + inosinic acid <br />
**[[4xtd]], [[4xti]] – AgIMPDH (mutant) + inosinic acid <br />
**[[4z0g]] – AgIMPDH (mutant) + GMP <br />
**[[4z0g]] – AgIMPDH (mutant) + GMP <br />
**[[5mcp]] – AgIMPDH + ATP <br />
**[[5mcp]] – AgIMPDH + ATP <br />
**[[6d4q]], [[6d4r]], [[6d4s]], [[6d4t]], [[6d4u]], [[6d4v]], [[6d4w]] – IMPDH + inhibitor – ''Mycobacterium thermoresistibile''<br />
**[[5x8o]] – IMPDH + GTP – ''Trypanosoma brucei''<br />


*IMPDH ternary complex with inosinic acid and inhibitor
*IMPDH ternary complex with inosinic acid and inhibitor


**[[1b3o]] – hMPDH 2 + selenazole inhibitor + IMP derivative <br />
**[[4ixh]], [[3khj]], [[4qj1]] – CpIMPDH catalytic domain + inhibitor + inosinic acid <br />
**[[4ixh]], [[3khj]], [[4qj1]] – CpIMPDH catalytic domain + inhibitor + inosinic acid <br />
**[[4rv8]] - CpIMPDH catalytic domain (mutant) + inhibitor + inosinic acid <br />
**[[4rv8]] - CpIMPDH catalytic domain (mutant) + inhibitor + inosinic acid <br />
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**[[5uwx]]]], [[5uxe]], [[5uzc]], [[5uze]], [[5uzs]], [[5vsv]] – CpMPDH (mutant) + IMP + inhibitor – ''Clostridium perfringens'' <br />
**[[5uwx]]]], [[5uxe]], [[5uzc]], [[5uze]], [[5uzs]], [[5vsv]] – CpMPDH (mutant) + IMP + inhibitor – ''Clostridium perfringens'' <br />
**[[4af0]] – IMPDH + mycophenolic acid + inosinic acid – ''Cryptococcus neoformans''<br />
**[[4af0]] – IMPDH + mycophenolic acid + inosinic acid – ''Cryptococcus neoformans''<br />
**[[1b3o]] – hMPDH 2 + selenazole inhibitor + IMP derivative <br />
**[[5upy]] - LmIMPDH catalytic domain + inhibitor + inosinic acid <br />
**[[5upy]] - LmIMPDH catalytic domain + inhibitor + inosinic acid <br />


*IMPDH other ternary complexes
*IMPDH other ternary complexes


**[[1nfb]] – hMPDH 2 + NAD + IMP derivative <br />
**[[1nf7]] – hMPDH 2 + mycophenolic adenine dinucleotide + ribavirin monophosphate <br />
**[[1me7]] – TfIMPDH + ribavirin monophosphate + mycophenolic acid <br />
**[[1me7]] – TfIMPDH + ribavirin monophosphate + mycophenolic acid <br />
**[[1lrt]] – TfIMPDH + adenine derivative + inosinic acid <br />
**[[1lrt]] – TfIMPDH + adenine derivative + inosinic acid <br />
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**[[4qne]] – VcIMPDH (mutant) + NAD + IMP <br />
**[[4qne]] – VcIMPDH (mutant) + NAD + IMP <br />
**[[4x3z]] – VcIMPDH (mutant) + NAD + XMP <br />
**[[4x3z]] – VcIMPDH (mutant) + NAD + XMP <br />
**[[1nfb]] – hMPDH 2 + NAD + IMP derivative <br />
**[[1nf7]] – hMPDH 2 + mycophenolic adenine dinucleotide + ribavirin monophosphate <br />
**[[4z87]] – AgIMPDH + GDP + GMP<br />
**[[4z87]] – AgIMPDH + GDP + GMP<br />
**[[5tc3]] – AgIMPDH + ATP + GDP<br />
**[[5tc3]] – AgIMPDH + ATP + GDP<br />
**[[6rpu]] – AgIMPDH + AP5G + GDP<br />


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Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

Michal Harel, Alexander Berchansky
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