Structure of PDB 5ahm Chain B Binding Site BS01

Receptor Information
>5ahm Chain B (length=347) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLRISQEALTFDDVLLIPGYSEVLPKDVSLKTRLTRGIELNIPLVSAAMD
TVTEARLAIAMAQEGGIGIIHKNMGIEQQAAEVRKVKKHETTYPLASKDE
QGRLRVGAAVGTGADTGERVAALVAAGVDVVVVDTAHGHSKGVIERVRWV
KQTFPDVQVIGGNIATAEAAKALAEAGADAVKVGIGPGSICTTRIVAGVG
VPQISAIANVAAALEGTGVPLIADGGIRFSGDLAKAMVAGAYCVMMGSMF
AGTEEAPGEIELFQGRSYKSYRGMGPEGIEGRVPYKGALSAIVHQLMGGL
RAAMGYTGSADIQQMRTQPQFVRITGAGMAESHVHDVQITKEAPNYR
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 chain5ahm Chain B 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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PDB5ahm Crystallographic Studies of Two Variants of Pseudomonas Aeruginosa Impdh with Impaired Allosteric Regulation
Resolution1.74 Å
Binding residue
(original residue number in PDB)		M49 G301 S302 I303 C304 D337 M359 G360 S361 Y384 G386 M387 G388 E417
Binding residue
(residue number reindexed from 1)		M49 G188 S189 I190 C191 D224 M246 G247 S248 Y271 G273 M274 G275 E277
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:5ahm, PDBe:5ahm, PDBj:5ahm
PDBsum5ahm
PubMed26327379
UniProtQ9HXM5

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