Structure of PDB 7ypv Chain G Binding Site BS01

Receptor Information
>7ypv Chain G (length=171) Species: 58340 (Streptomyces lavendulae subsp. lavendulae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYAFRVARPEDVEAIAAIDGSFTTGTVFQVAVAPDGFTLREVAVDPPLVK
VFPEDDGSGDRRTYVAVGAGGAVAGFTAVSYTPWNGRLTIEDIEVAPGHR
GRGIGRGLMERAADFARERGAGHLWLEVTNVNAPAIHAYLRLGFTFCGLD
TALYLGTESEGEQALYMSMPC
Ligand information
Ligand IDOI9
InChIInChI=1S/C19H34N8O8/c20-3-1-2-7(21)4-10(30)24-13-14(31)15(35-18(22)33)9(6-28)34-17(13)27-19-25-11-8(29)5-23-16(32)12(11)26-19/h7-9,11-15,17,28-29,31H,1-6,20-21H2,(H2,22,33)(H,23,32)(H,24,30)(H2,25,26,27)/t7-,8+,9+,11+,12-,13+,14-,15-,17+/m0/s1
InChIKeyNRAUADCLPJTGSF-VLSXYIQESA-N
SMILES
SoftwareSMILES
CACTVS 3.385NCCC[CH](N)CC(=O)N[CH]1[CH](O)[CH](OC(N)=O)[CH](CO)O[CH]1NC2=N[CH]3[CH](N2)[CH](O)CNC3=O
OpenEye OEToolkits 2.0.7C1[C@H]([C@@H]2[C@@H](C(=O)N1)N=C(N2)N[C@H]3[C@@H]([C@@H]([C@H]([C@H](O3)CO)OC(=O)N)O)NC(=O)C[C@H](CCCN)N)O
OpenEye OEToolkits 2.0.7C1C(C2C(C(=O)N1)N=C(N2)NC3C(C(C(C(O3)CO)OC(=O)N)O)NC(=O)CC(CCCN)N)O
ACDLabs 12.01NCCCC(N)CC(=O)NC1C(O)C(OC(N)=O)C(CO)OC1NC=1NC2C(N=1)C(=O)NCC2O
CACTVS 3.385NCCC[C@H](N)CC(=O)N[C@@H]1[C@H](O)[C@@H](OC(N)=O)[C@@H](CO)O[C@H]1NC2=N[C@H]3[C@H](N2)[C@H](O)CNC3=O
FormulaC19 H34 N8 O8
NameStreptothricin F
ChEMBLCHEMBL4448608
DrugBank
ZINCZINC000060183503
PDB chain7ypv Chain G Residue 200 [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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PDB7ypv N-Formimidoylation/-iminoacetylation modification in aminoglycosides requires FAD-dependent and ligand-protein NOS bridge dual chemistry.
Resolution2.415 Å
Binding residue
(original residue number in PDB)		K57 F59 D63 G64 S65 E105 D106 E141 T143 Y168 S173
Binding residue
(residue number reindexed from 1)		K50 F52 D56 G57 S58 E91 D92 E127 T129 Y154 S159
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008999 peptide-alanine-alpha-N-acetyltransferase activity
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups

View graph for
Molecular Function
External links
PDB RCSB:7ypv, PDBe:7ypv, PDBj:7ypv
PDBsum7ypv
PubMed37137912
UniProtG9MBU1

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