Structure of PDB 5uzc Chain D Binding Site BS03

Receptor Information
>5uzc Chain D (length=345) Species: 195103 (Clostridium perfringens ATCC 13124) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAMARILKTAYTFDDVLLVPNKSEVLPNEVSLKTQLTKKIQLNIPLMSAS
MDTVTESKMAIAMAREGGIGIIHKNMTIEDQAREVDRVKRSGGLLCGASI
GVTNDMMERVDAVVKAKVDVIVLDTAHGHSKGVIEGVKRIKAKYPELQVI
AGNIATPEAVRDLAEAGADCVKVGIGPGSICTTRIVAGVGVPQLTAVMDC
AEEGKKLGIPVIADGGLKYSGDIVKALAAGACAAMMGSIFAGCEEAPGAI
EIYQGRSYKVYRGMGSLGAMAVPEGVEGRIAYKGHLADTIYQLIGGIKSG
MGYLGAPTLENLYENANFVVQTSAGFRESHPHDINITKEAPNYSV
Ligand information
Ligand ID8N1
InChIInChI=1S/C24H30ClN3O5/c1-13(2)14-6-5-7-15(10-14)24(3,4)28-23(32)26-16-8-9-17(25)18(11-16)27-22-21(31)20(30)19(12-29)33-22/h5-11,19-22,27,29-31H,1,12H2,2-4H3,(H2,26,28,32)/t19-,20+,21-,22-/m1/s1
InChIKeyRGENKIJBZZZCQP-CIAFKFPVSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01c1(cccc(c1)\C(=C)C)C(C)(C)NC(Nc2ccc(c(c2)NC3OC(C(C3O)O)CO)Cl)=O
CACTVS 3.385CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(N[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2
CACTVS 3.385CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl)c(N[CH]3O[CH](CO)[CH](O)[CH]3O)c2
OpenEye OEToolkits 2.0.6CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)NC3C(C(C(O3)CO)O)O)Cl
OpenEye OEToolkits 2.0.6CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2)N[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)Cl
FormulaC24 H30 Cl N3 O5
NameN-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-xylofuranosylamine
ChEMBL
DrugBank
ZINCZINC000584905508
PDB chain5uzc Chain D Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5uzc Crystal Structure of Inosine 5'-monophosphate Dehydrogenase from Clostridium perfringens Complexed with IMP and P221
Resolution1.85 Å
Binding residue
(original residue number in PDB)		T247 A248 H249 S252 V255 M386 G387 M392 E411
Binding residue
(residue number reindexed from 1)		T125 A126 H127 S130 V133 M264 G265 M270 E274
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5uzc, PDBe:5uzc, PDBj:5uzc
PDBsum5uzc
PubMed
UniProtA0A0H2YRZ7

[Back to BioLiP]