Structure of PDB 7uy4 Chain A Binding Site BS02

Receptor Information
>7uy4 Chain A (length=258) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VIAEVSTQLSEVVGVIERHLEPTLLAVHLYGSAVDGGLKPHSDIDLLVTV
TVRLDETTRRALINDLLETSASPGESEILRAVEVTIVVHDDIIPWRYPAK
RELQFGEWQRNDILAGIFEPATIDIDLAILLTKAREHSVALVGPAAEELF
DPVPEQDLFEALNETLTLWNSPPDWAGDDRNVVLTLSRIWYSAVTGKIAP
KDVAADWAMERLPAQYQPVILEARQAYLGNEEDRLASRADQLEEFVHYVK
GEITKVVG
Ligand information
Ligand IDSMI
InChIInChI=1S/C14H26N2O8/c1-5-4-13(19,20)14(21)12(22-5)23-11-9(18)6(15-2)8(17)7(16-3)10(11)24-14/h5-12,15-21H,4H2,1-3H3/t5-,6-,7+,8+,9+,10-,11-,12+,14-/m1/s1
InChIKeyJEBSYFSDBYNEEU-GOZOPVAMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1CC(C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O)(O)O
OpenEye OEToolkits 1.5.0C[C@@H]1CC([C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O)(O)O
CACTVS 3.341CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3(O)O)O[C@@H]2[C@H]1O
ACDLabs 10.04O1C3C(OC2(O)C1OC(C)CC2(O)O)C(NC)C(O)C(NC)C3O
CACTVS 3.341CN[CH]1[CH](O)[CH](NC)[CH]2O[C]3(O)[CH](O[CH](C)CC3(O)O)O[CH]2[CH]1O
FormulaC14 H26 N2 O8
NameSPECTINOMYCIN;
(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-2-methyl-6,8-bis(methylamino)hexahydro-2H-pyrano[2,3-b][1,4]benzodioxine-4,4,4a,7,9(3H,10aH)-pentol
ChEMBL
DrugBank
ZINCZINC000058650817
PDB chain7uy4 Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7uy4 Characterization of the spectinomycin deactivating enzyme ANT-3,9
Resolution1.98 Å
Binding residue
(original residue number in PDB)		E83 W108 D178 N181
Binding residue
(residue number reindexed from 1)		E83 W108 D178 N181
Annotation score2
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:0070566 adenylyltransferase activity
Biological Process
GO:0046677 response to antibiotic

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7uy4, PDBe:7uy4, PDBj:7uy4
PDBsum7uy4
PubMed
UniProtP0AG05|S3AD_ECOLX Aminoglycoside (3'') (9) adenylyltransferase (Gene Name=aadA)

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