Structure of PDB 4y49 Chain G Binding Site BS01

Receptor Information
>4y49 Chain G (length=770) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAKIALKKYNYKKSLKLLDAILKKDGSHVDSLALKGLDLYSVGEKDDAAS
YVANAIRKIESASPICCHVLGIYMRNTKEYKESIKWFTAALNNGSTNKQI
YRDLATLQSQIGDFKNALVSRKKYWEAFLGYRANWTSLAVAQDVNGERQQ
AINTLSQFEKLAEGKISDSEKYEHSECLMYKNDIMYKAASDNQDKLQNVL
KHLNDIEPCVFDKFGLLERKATIYMKLGQLKDASIVYRTLIKRNPDNFKY
YKLLEVSLGIQGDNKLKKALYGKLEQFYPRCEPPKFIPLTFLQDKEELSK
KLREYVLPQLERGVPATFSNVKPLYQRRKSKVSPLLEKIVLDYLSGLDPT
QDPIPFIWTNYYLSQHFLFLKDFPKAQEYIDAALDHTPTLVEFYILKARI
LKHLGLMDTAAGILEEGRQLDLQDRFINCKTVKYFLRANNIDKAVEVASL
FTKSVNGIKDLHLVEASWFIVEQAEAYYRLYLDRKKKLDDLAQIANDIKE
NQWLVRKYKGLALKRFNAIPKFYKQFEDDQLDFHSYCMRKGTPRAYLEML
EWGKALYTKPMYVRAMKEASKLYFQMHDDRLKNKRKETEAKSVAAYPSDQ
DNDVFGEKLIETSTPMEDFATEFYNNYSMQVREDERDYILDFEFNYRIGK
LALCFASLNKFAKRFGTTSGLFGSMAIVLLHPFDPILKKVVTKSLEKEYS
ENFPLNEISNNSFDWLNFYQEKFGKNDINGLLFLYRYRDDVPGSSNLKEM
IISSLSPLEPHSQNEILQYY
Ligand information
Ligand IDG4P
InChIInChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(30-36(26,27)32-34(21,22)23)3(29-9)1-28-35(24,25)31-33(18,19)20/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
InChIKeyBUFLLCUFNHESEH-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O[P@@](O)(=O)O[P](O)(O)=O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3OP(=O)(O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)N
FormulaC10 H17 N5 O17 P4
NameGUANOSINE-5',3'-TETRAPHOSPHATE;
guanosine tetraphosphate;
ppGpp
ChEMBL
DrugBankDB04022
ZINCZINC000008217069
PDB chain4y49 Chain G Residue 901 [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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PDB4y49 Crystal structure of yeast N-terminal acetyltransferase (ppGpp) NatE in complex with a bisubstrate
Resolution3.95 Å
Binding residue
(original residue number in PDB)		L406 R437
Binding residue
(residue number reindexed from 1)		L368 R399
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004596 peptide alpha-N-acetyltransferase activity
GO:0005515 protein binding
GO:0043022 ribosome binding
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0031415 NatA complex

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4y49, PDBe:4y49, PDBj:4y49
PDBsum4y49
PubMed
UniProtP12945|NAT1_YEAST N-terminal acetyltransferase A complex subunit NAT1 (Gene Name=NAT1)

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