Structure of PDB 5ipp Chain C Binding Site BS01

Receptor Information
>5ipp Chain C (length=314) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MASMKTELIRTISLYDTIILHRHVRPDPDAYGSQCGLTEILRETYPEKNI
FAVGTPEPSLSFLYSLDEVDNETYEGALVIVCDTANQERIDDQRYPSGAK
LMKIDAHPNEDPYGDLLWVDTSASSVSEMIYELYLEGKEHGWKLNTKAAE
LIYAGIVGDTGRFLFPNTTEKTLKYAGELIQYPFSSSELFNQLYETKLNV
VKLNGFIFQNVSLSENGAASVFIKKDTLEKFGTTASEASQLVGTLGNISG
IRAWVFFVEEDDQIRVRFRSKGPVINGLARKYNGGGHPLASGASIYSWDE
ADRILADLETLCKE
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain5ipp Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ipp Structural Basis for the Bidirectional Activity of Bacillus nanoRNase NrnA.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		R264 R266 G281 G282 G283 A287 S288 G289
Binding residue
(residue number reindexed from 1)		R267 R269 G284 G285 G286 A290 S291 G292
Annotation score5
Enzymatic activity
Enzyme Commision number 3.1.-.-
3.1.3.7: 3'(2'),5'-bisphosphate nucleotidase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0004527 exonuclease activity
GO:0008441 3'(2'),5'-bisphosphate nucleotidase activity

View graph for
Molecular Function
External links
PDB RCSB:5ipp, PDBe:5ipp, PDBj:5ipp
PDBsum5ipp
PubMed28894100
UniProtO34600|NRNA_BACSU Bifunctional oligoribonuclease and PAP phosphatase NrnA (Gene Name=nrnA)

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