Structure of PDB 7ao8 Chain D Binding Site BS01

Receptor Information
>7ao8 Chain D (length=274) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDYVYFENSSSNPYLIRRIEELNKTANGNVEAKVVCFYRRRDISHQLRHR
ELFLSRQLESLPATHIRGKCSVTLLNETESLKSYLEREDFFFYSLVYDPQ
QKTLADGEIRVGNRYQADITDLLKEGEEDGRDQSRLETQVWEAHNPLTDK
QIDQFLVVARSVGTFARALDSLHMSAAAASRDITLFHAMDTLHKNIYDIS
KAISALVPQGGPVLCRDEMEEWSASEANLFEEALEKYGKDFTDIQQDFLP
WKSLTSIIEYYYMWKTTDRYVQQK
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 chain7ao8 Chain D Residue 801 [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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PDB7ao8 The topology of chromatin-binding domains in the NuRD deacetylase complex.
Resolution4.5 Å
Binding residue
(original residue number in PDB)		K305 Y327 K331
Binding residue
(residue number reindexed from 1)		K239 Y261 K265
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000978 RNA polymerase II cis-regulatory region sequence-specific DNA binding
GO:0003677 DNA binding
GO:0003682 chromatin binding
GO:0003713 transcription coactivator activity
GO:0003714 transcription corepressor activity
GO:0005515 protein binding
GO:0042826 histone deacetylase binding
GO:0043565 sequence-specific DNA binding
GO:0046872 metal ion binding
GO:0061629 RNA polymerase II-specific DNA-binding transcription factor binding
Biological Process
GO:0000122 negative regulation of transcription by RNA polymerase II
GO:0006302 double-strand break repair
GO:0006338 chromatin remodeling
GO:0006355 regulation of DNA-templated transcription
GO:0007165 signal transduction
GO:0010212 response to ionizing radiation
GO:0032922 circadian regulation of gene expression
GO:0042659 regulation of cell fate specification
GO:0043153 entrainment of circadian clock by photoperiod
GO:0043161 proteasome-mediated ubiquitin-dependent protein catabolic process
GO:0045475 locomotor rhythm
GO:0045814 negative regulation of gene expression, epigenetic
GO:0045892 negative regulation of DNA-templated transcription
GO:0045893 positive regulation of DNA-templated transcription
GO:0048511 rhythmic process
GO:1902499 positive regulation of protein autoubiquitination
GO:2000736 regulation of stem cell differentiation
Cellular Component
GO:0005634 nucleus
GO:0005635 nuclear envelope
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005874 microtubule
GO:0016581 NuRD complex
GO:0043231 intracellular membrane-bounded organelle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7ao8, PDBe:7ao8, PDBj:7ao8
PDBsum7ao8
PubMed33264408
UniProtQ13330|MTA1_HUMAN Metastasis-associated protein MTA1 (Gene Name=MTA1)

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