Brand  (β version)

PDB ID: 6D4W

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Ligands
Code Name Style Show Link
FWJ 2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one PoSSuM
IMP Inosinic acid PoSSuM
Non-standard Residues
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Structure summary

Code : 6D4W   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE/OXIDOREDUCTASE inhibitor
Title : M. thermoresistible GuaB2 delta-CBS in complex with inhibitor Compound 35 (VCC620637)
Release Data : 2019-05-01
Compound :
mol_id molecule chains synonym
1 Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase A IMPDH,IMPDH
ec: 1.1.1.205,1.1.1.205
Source :
mol_id organism_scientific expression_system
1 Mycobacterium thermoresistibile  (taxid:1078020) Escherichia coli  (taxid:562)
strain: ATCC 19527 / DSM 44167 / CIP 105390 / JCM 6362 / NCTC 10409 / 316
gene: guaB, KEK_23061
Authors : Ascher, D.B., Pacitto, A., Blundell, T.L.
Keywords : Complex, Fragment, IMPDH, OXIDOREDUCTASE, OXIDOREDUCTASE-OXIDOREDUCTASE inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 1.800 Å )
Citation :

Synthesis and Structure-Activity relationship of 1-(5-isoquinolinesulfonyl)piperazine analogues as inhibitors of Mycobacterium tuberculosis IMPDH.

Singh, V.,Pacitto, A.,Donini, S.  et al.
(2019)  Eur.J.Med.Chem.  174 : 309 - 329

PubMed: 31055147
DOI: 10.1016/j.ejmech.2019.04.027

Reaction

Chain : A
UniProt : G7CNL4 (G7CNL4_MYCT3)
Reaction: EC: Evidence:
Physiological Direction:
H2O + IMP + NAD(+) = H(+) + NADH + XMP 1.1.1.205 ARBA:ARBA00024264, HAMAP-Rule:MF_01964, RuleBase:RU003928
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