Structure of PDB 6fzb Chain A Binding Site BS04

Receptor Information
>6fzb Chain A (length=262) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSIPPSIQCQTEAACRLITRVTGDTLRAIHLYGSAVAGGLKPNSDIDLLV
TICQPLTEAQRATLMQELLALSSPPGASAEKRALEVTVVLYSQLVPWCFP
PSREMQFGEWLREDICQGIYEPAQQDWDMVLLITQILETSIPLKGERAER
LFTPAPAAQLLKALRYPLDLWQSTADVQGDEYHIVLTLARIWYTLSTGRF
TSKDAAADWLLPQLPEDYAATLRAAQREYLGLEQQDWHILLPAVVRFVDF
AKAHIPTQFTHH
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain6fzb Chain A Residue 304 [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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PDB6fzb Structural mechanism of AadA, a dual-specificity aminoglycoside adenylyltransferase fromSalmonella enterica.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		S36 S46 D47 D49 D130 L133 Q137 R192 I193 T196 F202 K205 Y231
Binding residue
(residue number reindexed from 1)		S34 S44 D45 D47 D128 L131 Q135 R190 I191 T194 F200 K203 Y229
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.7.47: streptomycin 3''-adenylyltransferase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0009012 aminoglycoside 3''-adenylyltransferase activity
GO:0016779 nucleotidyltransferase activity
GO:0046872 metal ion binding
GO:0070566 adenylyltransferase activity
Biological Process
GO:0046677 response to antibiotic

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Molecular Function
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Biological Process
External links
PDB RCSB:6fzb, PDBe:6fzb, PDBj:6fzb
PDBsum6fzb
PubMed29871922
UniProtQ8ZPX9|S3AD_SALTY Aminoglycoside (3'') (9) adenylyltransferase (Gene Name=aadA)

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