Structure of PDB 5uzs Chain A Binding Site BS02

Receptor Information
>5uzs Chain A (length=347) Species: 195103 (Clostridium perfringens ATCC 13124) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNAMARILKTAYTFDDVLLVPNKSEVLPNEVSLKTQLTKKIQLNIPLMSA
SMDTVTESKMAIAMAREGGIGIIHKNMTIEDQAREVDRVKRSGGLLCGAS
IGVTNDMMERVDAVVKAKVDVIVLDTAHGHSKGVIEGVKRIKAKYPELQV
IAGNIATPEAVRDLAEAGADCVKVGIGPGSICTTRIVAGVGVPQLTAVMD
CAEEGKKLGIPVIADGGLKYSGDIVKALAAGACAAMMGSIFAGCEEAPGA
IEIYQGRSYKVYRGMGSLGAMAKKFVPEGVEGRIAYKGHLADTIYQLIGG
IKSGMGYLGAPTLENLYENANFVVQTSAGFRESHPHDINITKEAPNY
Ligand information
Ligand ID8L4
InChIInChI=1S/C17H19ClN4O2/c1-17(2,12-5-3-4-11(10-12)15(19)22-24)21-16(23)20-14-8-6-13(18)7-9-14/h3-10,24H,1-2H3,(H2,19,22)(H2,20,21,23)
InChIKeyNZOIAPIDYRJDOM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(C)(c1cccc(c1)C(=N)NO)NC(=O)Nc2ccc(cc2)Cl
CACTVS 3.385CC(C)(NC(=O)Nc1ccc(Cl)cc1)c2cccc(c2)C(=N)NO
OpenEye OEToolkits 2.0.6[H]/N=C(/c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(cc2)Cl)\NO
ACDLabs 12.01C(=N)(\c1cccc(c1)C(C)(C)NC(Nc2ccc(Cl)cc2)=O)NO
FormulaC17 H19 Cl N4 O2
Name3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-N-hydroxybenzene-1-carboximidamide
ChEMBL
DrugBank
ZINCZINC000584905504
PDB chain5uzs Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5uzs Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and P200
Resolution2.367 Å
Binding residue
(original residue number in PDB)		A248 H249 G387 M392 E411
Binding residue
(residue number reindexed from 1)		A127 H128 G266 M271 E278
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.205: IMP dehydrogenase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0003938 IMP dehydrogenase activity
GO:0016491 oxidoreductase activity
Biological Process
GO:0006164 purine nucleotide biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5uzs, PDBe:5uzs, PDBj:5uzs
PDBsum5uzs
PubMed
UniProtA0A0H2YRZ7

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