Structure of PDB 6mb7 Chain A Binding Site BS01

Receptor Information
>6mb7 Chain A (length=265) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFATRTSLAADLAALGLAWGDAIMVHAAVSRVGRLLDGPDTIIAALRDTV
GPGGTVLAYADWEARYEDLVDDAGRVPPEWREHVPPFDPQRSRAIRDNGV
LPEFLRTTPGTLRSGNPGASLVALGAKAEWFTADHPLDYGYGEGSPLAKL
VEAGGKVLMLGAPLDTLTLLHHAEHLADIPGKRIKRIEVPFATPTGTQWR
MIEEFDTGDPIVAGLAEDYFAGIVTEFLASGQGRQGLIGAAPSVLVDAAA
ITAFGVTWLEKRFGT
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 chain6mb7 Chain A Residue 900 [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]
PDB6mb7 Encoding of Promiscuity in an Aminoglycoside Acetyltransferase.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		Y65 H177 T213 G214 D215 E223
Binding residue
(residue number reindexed from 1)		Y59 H171 T207 G208 D209 E217
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.81: aminoglycoside N(3)-acetyltransferase.
Gene Ontology
Molecular Function
GO:0008080 N-acetyltransferase activity
GO:0016746 acyltransferase activity
GO:0046353 aminoglycoside 3-N-acetyltransferase activity
Biological Process
GO:0046677 response to antibiotic

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6mb7, PDBe:6mb7, PDBj:6mb7
PDBsum6mb7
PubMed30347146
UniProtQ51405

[Back to BioLiP]