Structure of PDB 7qem Chain D Binding Site BS01

Receptor Information
>7qem Chain D (length=426) Species: 83333,208964 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLRIAKEALTFDDVLLVPAHSTVLPNTADLSTQLTKTIRLNIPMLSAAMD
TVTEARLAIALAQEGGIGFIHKNMSIERQAEEVRRVKKHESAIVRDPVTV
TPSTKIIELLQMAREYGFSGFPVVEQGELVGIVTGRDLRVKPNAGDTVAA
IMTPKDKLVTAREGTPLEEMKAKLYENRIEKMLVVDENFYLRGLVTFRDI
EKAERKPNACKDEQGRLRVGAAVGAGAGNEERVDALVAAGVDVLLIDSSH
GHSEGVLQRIRETRAKYPDLQIIGGNVATAAGARALAEAGCSAVKVGIGP
CTTRIVTGVGVPQITAVADAVEALEGTGIPVIADGGIRFSGDIAKAIAAG
ASAVMVGSMLAGTEESPGEIELYQGRSYKSYVAYKGRLKEIIHQQMGGLR
SCMGLTGCGTIDELRTKAEFVRISGA
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 chain7qem 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

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PDB7qem Insight into the role of the Bateman domain at the molecular and physiological levels through engineered IMP dehydrogenases.
Resolution3.09 Å
Binding residue
(original residue number in PDB)		D337 G338 G360 S361
Binding residue
(residue number reindexed from 1)		D334 G335 G357 S358
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
View graph for
Biological Process
External links
PDB RCSB:7qem, PDBe:7qem, PDBj:7qem
PDBsum7qem
PubMed37338125
UniProtP0ADG7;
Q9HXM5

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