Structure of PDB 7ae9 Chain F Binding Site BS01

Receptor Information
>7ae9 Chain F (length=139) Species: 1532906 (Aphanizomenon flos-aquae 2012/KM1/D3) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTIAELRELSLRLLTKIPYLKMLVLFGSRATGNIDWDFAVLYDEEKYNLY
IQNNPLAAFVIPGILGEIFKINSDKIDIVELNHCSKLIAHFVARDGKVLY
EEDEFDKFQQRVLLSNTEIKKIEKTKLENIENFLQRWGV
Ligand information
Ligand ID2DA
InChIInChI=1S/C10H14N5O5P/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(20-7)3-19-21(16,17)18/h4-7H,1-3H2,(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1
InChIKeyPUSXDQXVJDGIBK-NKWVEPMBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3CC[C@H](O3)COP(=O)(O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3CC[CH](CO[P](O)(O)=O)O3
ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3CCC(O3)COP(=O)(O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@H]3CC[C@@H](CO[P](O)(O)=O)O3
FormulaC10 H14 N5 O5 P
Name2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL1162296
DrugBank
ZINC
PDB chain7ae9 Chain A Residue 201 [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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PDB7ae9 HEPN-MNT Toxin-Antitoxin System: The HEPN Ribonuclease Is Neutralized by OligoAMPylation.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		S94 L96 I97 F100
Binding residue
(residue number reindexed from 1)		S85 L87 I88 F91
Annotation score2
Enzymatic activity
Enzyme Commision number 2.7.7.108: protein adenylyltransferase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016779 nucleotidyltransferase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7ae9, PDBe:7ae9, PDBj:7ae9
PDBsum7ae9
PubMed33290744
UniProtA0A0B0QJN8|MNTA_APHF2 Protein adenylyltransferase MntA (Gene Name=mntA)

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