Structure of PDB 1s3z Chain B Binding Site BS01

Receptor Information
>1s3z Chain B (length=145) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDIRQMNKTHLEHWRGLRKQLWPGHPDDAHLADGEEILQADHLASFIAMA
DGVAIGFADASIRHDYVNGCDSSPVVFLEGIFVLPSFRQRGVAKQLIAAV
QRWGTNKGCREMASDTSPENTISQKVHQALGFEETERVIFYRKRC
Ligand information
Ligand IDRIO
InChIInChI=1S/C17H34N4O10/c18-2-6-10(24)12(26)8(21)16(28-6)30-14-5(20)1-4(19)9(23)15(14)31-17-13(27)11(25)7(3-22)29-17/h4-17,22-27H,1-3,18-21H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-,13-,14-,15-,16-,17+/m1/s1
InChIKeyNSKGQURZWSPSBC-VVPCINPTSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O(C2C(OC1OC(CN)C(O)C(O)C1N)C(N)CC(N)C2O)C3OC(C(O)C3O)CO
OpenEye OEToolkits 1.5.0C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)O)O)O)N
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)O)N
CACTVS 3.341NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O)[CH]2O[CH]3O[CH](CO)[CH](O)[CH]3O)[CH](N)[CH](O)[CH]1O
CACTVS 3.341NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@H](N)[C@@H](O)[C@@H]1O
FormulaC17 H34 N4 O10
NameRIBOSTAMYCIN;
5-AMINO-2-AMINOMETHYL-6-[4,6-DIAMINO-2-(3,4-DIHYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YLOXY)-3-HYDROXY-CYCLOHEXYLOXY ]-TETRAHYDRO-PYRAN-3,4-DIOL;
(1R,2R,3S,4R,6S)-4,6-diamino-3-hydroxy-2-(beta-D-ribofuranosyloxy)cyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside
ChEMBLCHEMBL221572
DrugBankDB03615
ZINCZINC000053255716
PDB chain1s3z Chain A Residue 500 [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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PDB1s3z A bacterial acetyltransferase capable of regioselective N-acetylation of antibiotics and histones
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Y66 E136
Binding residue
(residue number reindexed from 1)		Y66 E136
Annotation score4
Enzymatic activity
Enzyme Commision number 2.3.1.82: aminoglycoside 6'-N-acetyltransferase.
Gene Ontology
Molecular Function
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
GO:0042803 protein homodimerization activity
GO:0047663 aminoglycoside 6'-N-acetyltransferase activity
Biological Process
GO:0006084 acetyl-CoA metabolic process
GO:0046677 response to antibiotic

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1s3z, PDBe:1s3z, PDBj:1s3z
PDBsum1s3z
PubMed15123251
UniProtQ9R381|AAC6_SALEN Aminoglycoside N(6')-acetyltransferase type 1

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