Structure of PDB 7ypv Chain A Binding Site BS01

Receptor Information
>7ypv Chain A (length=172) Species: 58340 (Streptomyces lavendulae subsp. lavendulae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTYAFRVARPEDVEAIAAIDGSFTTGTVFQVAVAPDGFTLREVAVDPPLV
KVFPEDDGSGDRRTYVAVGAGGAVAGFTAVSYTPWNGRLTIEDIEVAPGH
RGRGIGRGLMERAADFARERGAGHLWLEVTNVNAPAIHAYLRLGFTFCGL
DTALYLGTESEGEQALYMSMPC
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 A 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 E105 D106 E141 T143 Y168 S173
Binding residue
(residue number reindexed from 1)		K51 F53 D57 G58 E92 D93 E128 T130 Y155 S160
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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