Structure of PDB 7k0a Chain B Binding Site BS01

Receptor Information
>7k0a Chain B (length=196) Species: 132473 (Streptomyces alboniger) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPTVRLATRDDVPRAVRTLAAAFADYPATRHTVDPDRHIERVTELQELFL
TRVGLDIGKVWVADDGAAVAVWTTPESVEAGAVFAEIGPRMAELSGSRLA
AQQQMEGLLAPHRPKEPAWFLATVGVSPDHQGKGLGSAVVLPGVEAAERA
GVPAFLETSAPRNLPFYERLGFTVTADVEVPEGPRTWCMTRKPGAS
Ligand information
Ligand IDVQ1
InChIInChI=1S/C24H31N7O6/c1-13(33)28-16(9-14-5-7-15(36-4)8-6-14)23(35)29-18-17(10-32)37-24(20(18)34)31-12-27-19-21(30(2)3)25-11-26-22(19)31/h5-8,11-12,16-18,20,24,32,34H,9-10H2,1-4H3,(H,28,33)(H,29,35)/t16-,17+,18+,20+,24+/m0/s1
InChIKeyLADKVYSQIGJMFP-IYRMOJGWSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1ccc(C[C@H](NC(C)=O)C(=O)N[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO)n3cnc4c(ncnc34)N(C)C)cc1
OpenEye OEToolkits 2.0.7CC(=O)NC(Cc1ccc(cc1)OC)C(=O)NC2C(OC(C2O)n3cnc4c3ncnc4N(C)C)CO
OpenEye OEToolkits 2.0.7CC(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3ncnc4N(C)C)CO
ACDLabs 12.01C2(C(NC(C(NC(C)=O)Cc1ccc(OC)cc1)=O)C(CO)OC2n3cnc4c3ncnc4N(C)C)O
CACTVS 3.385COc1ccc(C[CH](NC(C)=O)C(=O)N[CH]2[CH](O)[CH](O[CH]2CO)n3cnc4c(ncnc34)N(C)C)cc1
FormulaC24 H31 N7 O6
NameN-Acetylpuromycin;
3'-[(N-acetyl-O-methyl-L-tyrosyl)amino]-3'-deoxy-N,N-dimethyladenosine
ChEMBLCHEMBL4278090
DrugBank
ZINCZINC000004097334
PDB chain7k0a Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7k0a Structure-guided selection of puromycin N-acetyltransferase mutants with enhanced selection stringency for deriving mammalian cell lines expressing recombinant proteins.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		F27 F53 T77 F88 F124 A126 T127 V128 E161
Binding residue
(residue number reindexed from 1)		F23 F49 T73 F84 F120 A122 T123 V124 E157
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.-.-
Gene Ontology
Molecular Function
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
Biological Process
GO:0046677 response to antibiotic

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7k0a, PDBe:7k0a, PDBj:7k0a
PDBsum7k0a
PubMed33664348
UniProtP13249|PUAC_STRAD Puromycin N-acetyltransferase (Gene Name=pac)

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