Structure of PDB 4hnx Chain A Binding Site BS01

Receptor Information
>4hnx Chain A (length=713) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKENDQFLEALKLYEGKQYKKSLKLLDAILKKGSHVDSLALKGLDLYSVG
EKDDAASYVANAIRKIEGASASPICCHVLGIYMRNTKEYKESIKWFTAAL
NNGSTNKQIYRDLATLQSQIGDFKNALVSRKKYWEAFLGYRANWTSLAVA
QDVNGERQQAINTLSQFEKLAEGKISDSEKYEHSECLMYKNDIMYKAASD
NQDKLQNVLKHLNDIEPCVFDKFGLLERKATIYMKLGQLKDASIVYRTLI
KRNPDNFKYYKLLEVSLGIQGDNKLKKALYGKLEQFYPRCEPPKFIPLTF
LQDKEELSKKLREYVLPQLERGVPATFSNVKPLYQRRKSKVSPLLEKIVL
DYLSGLDPTQDPIPFIWTNYYLSQHFLFLKDFPKAQEYIDAALDHTPTLV
EFYILKARILKHLGLMDTAAGILEEGRQLDLQDRFINCKTVKYFLRANNI
DKAVEVASLFTVEASWFIVEQAEAYYRLYLDRKKKLDDLAESDKSEQIAN
DIKENQWLVRKYKGLALKRFNAIPKFYKQFEDDQLDFHSYCMRKGTPRAY
LEMLEWGKALYTKPMYVRAMKEASKLYFQMHDDRLDVFGEKLIETSTPME
DFATEFYNNYSMQVREDERDYILDFEFNYRIGKLALCFASLNKFAKRFGT
TSGLFGSMAIVLLHANDINGLLFLYRYRDDVPIGSSNLKEMIISSLSPLE
PHSQNEILQYYLY
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 chain4hnx Chain A 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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PDB4hnx The Protein Complex NatA Binds Inositol Hexakisphosphate and Exhibits Conformational Flexibility
Resolution2.339 Å
Binding residue
(original residue number in PDB)		R426 K429 H430 K457 K460 Y461 R464
Binding residue
(residue number reindexed from 1)		R408 K411 H412 K439 K442 Y443 R446
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:4hnx, PDBe:4hnx, PDBj:4hnx
PDBsum4hnx
PubMed
UniProtP12945|NAT1_YEAST N-terminal acetyltransferase A complex subunit NAT1 (Gene Name=NAT1)

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