Structure of PDB 6ppl Chain B Binding Site BS01

Receptor Information
>6ppl Chain B (length=665) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLQILRDLSLLQIQMRDLEGYRETRYQLLQLRPAQRASWIGYAIAYHLLE
DYEMAAKILEEFRKTQQTSPDKVDYEYSELLLYQNQVLREAGLYREALEH
LCTYEKQICDKLAVEETKGELLLQLCRLEDAADVYRGLQERNPENWAYYK
GLEKALKPANMLERLKIYEEAWTKYPRGLVPRRLPLNFLSGEKFKECLDK
FLRMNFSKGCPPVFNTLRSLYKDKEKVAIIEELVVGYETSLKSCRLFNPN
DDGKEEPPTTLLWVQYYLAQHYDKIGQPSIALEYINTAIESTPTLIELFL
VKAKIYKHAGNIKEAARWMDEAQALDTADRFINSKCAKYMLKANLIKEAE
EMCSKFTREGTSAVENLNEMQCMWFQTECAQAYKAMNKFGEALKKCHEIE
RHFIEITDDQFDFHTYCMRKITLRSYVDLLKLEDVLRQHPFYFKAARIAI
EIYLKLHDNPLPKEELIPEKLAKVETPLEEAIKFLTPLKNLVKNKIETHL
FAFEIYFRKEKFLLMLQSVKRAFAIDSSHPWLHECMIRLFNTAVCESKDL
SDTVRTVLKQEMNRLFGATNPKNFNETFLKRNSDSLPHRLSAAKMVYYLD
PSSQKRAIELATTLDESLTNRNLQTCMEVLEALYDGSLGDCKEAAEIYRA
NCHKLFPYALAFMPP
Ligand information
Ligand IDIHP
InChIInChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-
InChIKeyIMQLKJBTEOYOSI-GPIVLXJGSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
CACTVS 3.385O[P](O)(=O)O[C@@H]1[C@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O
FormulaC6 H18 O24 P6
NameINOSITOL HEXAKISPHOSPHATE;
MYO-INOSITOL HEXAKISPHOSPHATE;
INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE
ChEMBLCHEMBL1233511
DrugBankDB14981
ZINCZINC000169289809
PDB chain6ppl Chain B 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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PDB6ppl Molecular basis for N-terminal acetylation by human NatE and its modulation by HYPK.
Resolution3.02 Å
Binding residue
(original residue number in PDB)		K416 H420 K447 K556
Binding residue
(residue number reindexed from 1)		K304 H308 K335 K444
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0005515 protein binding
GO:0016407 acetyltransferase activity
GO:0043022 ribosome binding
Biological Process
GO:0001525 angiogenesis
GO:0006474 N-terminal protein amino acid acetylation
GO:0030154 cell differentiation
GO:0043066 negative regulation of apoptotic process
GO:0045893 positive regulation of DNA-templated transcription
GO:0050821 protein stabilization
Cellular Component
GO:0005634 nucleus
GO:0005667 transcription regulator complex
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016020 membrane
GO:0016604 nuclear body
GO:0031415 NatA complex
GO:0043231 intracellular membrane-bounded organelle

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6ppl, PDBe:6ppl, PDBj:6ppl
PDBsum6ppl
PubMed32042062
UniProtQ9BXJ9|NAA15_HUMAN N-alpha-acetyltransferase 15, NatA auxiliary subunit (Gene Name=NAA15)

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