Structure of PDB 8ebc Chain E Binding Site BS01

Receptor Information
>8ebc Chain E (length=350) Species: 169963 (Listeria monocytogenes EGD-e) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MAFYFPSRTFSEFLLVPGYSSAECVPTNVSLKTPIVKFKKGEESAITMNI
PLVSAIMQAVSDDNMGIALATEGGVSFIFGSQSIESEAAMVSRVKNHKSL
ELLDSSKRYVVGAGINTRDYEERVPALVEAGADILCIDSSEGYSEWQKRT
LDYVRGKYGDTVKVGAGNVVDRDGFRYLAEAGADFVKVGVGGGSICITRE
QKGIGRGQATALIDVAKARDEYFEETGVYIPICSDGGIVYDYHMTLALAM
GADFIMLGRYFSRFDESPTNKVNLNGTYMKEYWGEGANRARNWQRYEGVD
SYVPYAGSLKDNVAISLSKVRSTMCNCGALNIPELQQKAKITLVSSTSIV
Ligand information
Ligand IDIMP
InChIInChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyGRSZFWQUAKGDAV-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.5c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CNC2=O
ACDLabs 10.04O=C1c2ncn(c2N=CN1)C3OC(C(O)C3O)COP(=O)(O)O
OpenEye OEToolkits 1.7.5c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=CNC2=O
CACTVS 3.385O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23
CACTVS 3.385O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O)NC=Nc23
FormulaC10 H13 N4 O8 P
NameINOSINIC ACID
ChEMBLCHEMBL1207374
DrugBankDB04566
ZINCZINC000004228242
PDB chain8ebc Chain E Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ebc Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Listeria monocytogenes in the complex with IMP
Resolution2.5 Å
Binding residue
(original residue number in PDB)		M58 I211 T212 Q215 D249 G250 G251 L271 G272 R273 G298 E299 G300
Binding residue
(residue number reindexed from 1)		M57 I197 T198 Q201 D235 G236 G237 L257 G258 R259 G284 E285 G286
Annotation score4
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
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Biological Process
External links
PDB RCSB:8ebc, PDBe:8ebc, PDBj:8ebc
PDBsum8ebc
PubMed
UniProtQ8YAJ3

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