Structure of PDB 8ebc Chain B Binding Site BS01

Receptor Information
>8ebc Chain B (length=336) Species: 169963 (Listeria monocytogenes EGD-e) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMAFYFEEPSRTFSEFLLVPGCVPTNVSLKTPIVKFKKGEESAITMNIPL
VSAIMQAVSDDNMGIALATEGGVSFIFGSQSIESEAAMVSRVKNHKSKLE
LLDSSKRYVVGAGINTRDYEERVPALVEAGADILCIDSSEGYSEWQKRTL
DYVRGKYGDTVKVGAGNVVDRDGFRYLAEAGADFVKVGVGGGSICIGQAT
ALIDVAKARDEYFEETGVYIPICSDGGIVYDYHMTLALAMGADFIMLGRY
FSRFDESPTNKVNLNGTYMKEYWGEGANRARNWQRYDEGVDSYVPYAGSL
KDNVAISLSKVRSTMCNCGALNIPELQQKAKITLVS
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 B Residue 401 [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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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)		G206 I209 I211 D249 G250 L271 G272 R273 G298 G300
Binding residue
(residue number reindexed from 1)		G191 I194 I196 D225 G226 L247 G248 R249 G274 G276
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

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Molecular Function
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Biological Process
External links
PDB RCSB:8ebc, PDBe:8ebc, PDBj:8ebc
PDBsum8ebc
PubMed
UniProtQ8YAJ3

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