Structure of PDB 4oke Chain A Binding Site BS02

Receptor Information
>4oke Chain A (length=160) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VRYFYDTEFIEDGHTIELISIGVVAEDGREYYAVSTEFDPERAGSWVRTH
VLPKLPPPASQLWRSRQQIRLDLEEFLRIDGTDSIELWAWVGAYDHVALC
QLWGPMTALPPTVPRFTRELRQLWEDRGCPRMPPRPRDVHDALVDARDQL
RRFRLITSTD
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 chain4oke Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4oke Structure and Function of RNase AS, a Polyadenylate-Specific Exoribonuclease Affecting Mycobacterial Virulence In Vivo
Resolution1.7 Å
Binding residue
(original residue number in PDB)		M106 R115
Binding residue
(residue number reindexed from 1)		M106 R115
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.13.-
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003676 nucleic acid binding
GO:0004527 exonuclease activity
GO:0004532 RNA exonuclease activity
GO:0008408 3'-5' exonuclease activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4oke, PDBe:4oke, PDBj:4oke
PDBsum4oke
PubMed24704253
UniProtP9WJ73|EXRBN_MYCTU 3'-5' exoribonuclease Rv2179c (Gene Name=Rv2179c)

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