Structure of PDB 5uzs Chain C Binding Site BS01

Receptor Information
>5uzs Chain C (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
IEIYQGRSYKVYRGMGSLGAMAKFVPEGVEGRIAYKGHLADTIYQLIGGI
KSGMGYLGAPTLENLYENANFVVQTSAGFRESHPHDINITKEAPNYS
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)		P25 S436 G439 Y440
Binding residue
(residue number reindexed from 1)		P28 S302 G305 Y306
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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