Structure of PDB 4qb9 Chain A Binding Site BS01

Receptor Information
>4qb9 Chain A (length=402) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MITPRTLHTITDDDWTRIALLARFAFGDIEPEQTQAAWRSMVPEDATVVV
PDETDDAFVGQSLYLDMQLTVPGGEVLPVAGISFVAVAPTHRRRGVLRAM
YTELHDRIARAGYPLAVLTASEGGIYGRFGYGVATIEQHVSVDRRLAQFH
PAAPDPGGVRMLVPADHRDGLADIYDRWRRRTPGGLVRPDALWDDLLADR
PESRRGGGELFAFGHQDGYALYRVDRGPDGRRSAHVVELTAVTADAHAAL
WRALLGLDLIDRVSIGTHPHDPLPYLLTDPRQAQVTASADDLWIRIMNVP
AALEARRYQADLDVVLDVADGFRSDGGRFALQISGGRARCTTTDAPADIE
IDLDVLGGLYLGAHRVDGFAAANRLRSKDSELLQQFGAAFAGDMPAELGY
GF
Ligand information
Ligand IDPAR
InChIInChI=1S/C23H45N5O14/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22/h5-23,29-36H,1-4,24-28H2/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
InChIKeyUOZODPSAJZTQNH-LSWIJEOBSA-N
SMILES
SoftwareSMILES
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)CO)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N
CACTVS 3.341NC[CH]1O[CH](O[CH]2[CH](O)[CH](O[CH]2CO)O[CH]3[CH](O)[CH](N)C[CH](N)[CH]3O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4N)[CH](N)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N
CACTVS 3.341NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO)O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)[C@H](N)[C@@H](O)[C@@H]1O
ACDLabs 10.04O(C2C(OC1OC(CO)C(O)C(O)C1N)C(N)CC(N)C2O)C4OC(C(OC3OC(CN)C(O)C(O)C3N)C4O)CO
FormulaC23 H45 N5 O14
NamePAROMOMYCIN;
PAROMOMYCIN I;
AMMINOSIDIN;
CATENULIN;
CRESTOMYCIN;
MONOMYCIN A;
NEOMYCIN E
ChEMBLCHEMBL370143
DrugBankDB01421
ZINCZINC000060183170
PDB chain4qb9 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4qb9 Structure of Mycobacterium smegmatis Eis in complex with paromomycin.
Resolution3.293 Å
Binding residue
(original residue number in PDB)		F26 S83 F84 T119 S121 E137 D290 D291 Y400 G401 F402
Binding residue
(residue number reindexed from 1)		F26 S83 F84 T119 S121 E137 D290 D291 Y400 G401 F402
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) L21
Catalytic site (residue number reindexed from 1) L21
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008080 N-acetyltransferase activity
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
GO:0034069 aminoglycoside N-acetyltransferase activity
Biological Process
GO:0030649 aminoglycoside antibiotic catabolic process
Cellular Component
GO:0005576 extracellular region
GO:0044161 host cell cytoplasmic vesicle

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4qb9, PDBe:4qb9, PDBj:4qb9
PDBsum4qb9
PubMed25195887
UniProtA0QY29

[Back to BioLiP]