Structure of PDB 5us1 Chain E Binding Site BS01

Receptor Information
>5us1 Chain E (length=184) Species: 588 (Providencia stuartii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMGSMGIEYRSLHTSQLTLSEKEALYDLLIEGFEGDFSHDDFAHTLGG
MHVMAFDQQKLVGHVAIIQRHMALDNTPISVGYVEAMVVEQSYRRQGIGR
QLMLQTNKIIASCYQLGLLSASDDGQKLYHSVGWQIWKGKLFELKQGSYI
RSIEEEGGVMGWKADGEVDFTASLYCDFRGGDQW
Ligand information
Ligand ID8MM
InChIInChI=1S/C21H41N5O8/c1-9(27)26-13-5-4-10(7-22)32-19(13)33-16-11(23)6-12(24)17(14(16)28)34-20-15(29)18(25-3)21(2,30)8-31-20/h10-20,25,28-30H,4-8,22-24H2,1-3H3,(H,26,27)/t10-,11-,12+,13+,14-,15+,16+,17-,18+,19+,20+,21-/m0/s1
InChIKeyRLGSXXMFPPOROB-JOYMZIHVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=O)N[C@@H]1CC[C@H](O[C@@H]1O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)CN
ACDLabs 12.01C1CC(OC(C1NC(C)=O)OC3C(C(OC2C(O)C(NC)C(C)(O)CO2)C(CC3N)N)O)CN
CACTVS 3.385CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CN)CC[CH]3NC(C)=O)[CH]2O
OpenEye OEToolkits 2.0.6CC(=O)NC1CCC(OC1OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)CN
CACTVS 3.385CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(C)O)O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3O[C@H](CN)CC[C@H]3NC(C)=O)[C@@H]2O
FormulaC21 H41 N5 O8
Name(1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-(acetylamino)-6-amino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside;
N2'-acetylgentamicin C1A
ChEMBL
DrugBank
ZINCZINC000030724833
PDB chain5us1 Chain E 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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PDB5us1 Plazomicin Retains Antibiotic Activity against Most Aminoglycoside Modifying Enzymes.
Resolution2.48 Å
Binding residue
(original residue number in PDB)		D37 A80 S114 S116 E149 W178
Binding residue
(residue number reindexed from 1)		D43 A86 S120 S122 E155 W184
Annotation score5
Enzymatic activity
Enzyme Commision number 2.3.1.59: gentamicin 2'-N-acetyltransferase.
Gene Ontology
Molecular Function
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
GO:0047921 aminoglycoside 2'-N-acetyltransferase activity
Biological Process
GO:0046677 response to antibiotic

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5us1, PDBe:5us1, PDBj:5us1
PDBsum5us1
PubMed29634241
UniProtQ52424|AAC2_PROST Aminoglycoside 2'-N-acetyltransferase (Gene Name=aac)

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