Structure of PDB 7aer Chain C Binding Site BS02

Receptor Information
>7aer Chain C (length=132) Species: 211586 (Shewanella oneidensis MR-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDIIINKIATIKRCIKRIQQVYGDGSQFKQDFTLQDSVILNLQRCCEACI
DIANHINRQQQLGIPQSSRDSFTLLAQNNLITQPLSDNLKKMVGLRNIAV
HDYQELNLDIVVHVVQHHLEDFEQFIDVIKAE
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 chain7aer Chain C Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7aer HEPN-MNT Toxin-Antitoxin System: The HEPN Ribonuclease Is Neutralized by OligoAMPylation.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		K92 G95 L96 Q105 N108 I111
Binding residue
(residue number reindexed from 1)		K91 G94 L95 Q104 N107 I110
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003674 molecular_function
GO:0004519 endonuclease activity
GO:0004540 RNA nuclease activity
Biological Process
GO:0008150 biological_process
Cellular Component
GO:0005575 cellular_component
GO:0110001 toxin-antitoxin complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7aer, PDBe:7aer, PDBj:7aer
PDBsum7aer
PubMed33290744
UniProtQ8ECH6|HEPT_SHEON mRNA nuclease HepT (Gene Name=hepT)

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