Structure of PDB 5hyn Chain A Binding Site BS04

Receptor Information
>5hyn Chain A (length=581) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KGPVCWRKRVKSEYMRLRQLKRFRRADEVKSMFSSNRQKILERTEILNQE
WKQRRIQPVHILTSVSSLRGTRECSVTSDLDFPTQVIPLKTLNAVASVPI
MYSWSPLQQNFMVEDETVLHNIPYMGDEVLDQDGTFIEELIKNYDGKVHG
DRECGFINDEIFVELVNALGQYNESRPPRSDKIFEAISSMFPDKGTAEEL
KEKYKELTEPPECTPNIDGPNAKSVQREQSLHSFHTLFCRRCFKYDCFLH
PFHATPNTYKRKNTETALDNKPCGPQCYQHLEGAKEFAAALTAERIKTPN
IEPPENVEWSGAEASMFRVLIGTYYDNFCAIARLIGTKTCRQVYEFRVKE
SSIIAPHVYNYQPCDHPRQPCDSSCPCVIAQNFCEKFCQCSSECQNRFPG
CRCKAQCNTKQCPCYLAVRECDPDLCLTCGAADHWDSKNVSCKNCSIQRG
SKKHLLLAPSDVAGWGIFIKDPVQKNEFISEYCGEIISQDEADRRGKVYD
KYMCSFLFNLNNDFVVDATRKGNKIRFANHSVNPNCYAKVMMVNGDHRIG
IFAKRAIQTGEELFFDYRYSQADALKYVGIE
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5hyn Chain A Residue 1002 [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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PDB5hyn Structural basis of oncogenic histone H3K27M inhibition of human polycomb repressive complex 2.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		C320 C452 C463
Binding residue
(residue number reindexed from 1)		C273 C329 C340
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.356: [histone H3]-lysine(27) N-trimethyltransferase.
Gene Ontology
Molecular Function
GO:0000976 transcription cis-regulatory region binding
GO:0000978 RNA polymerase II cis-regulatory region sequence-specific DNA binding
GO:0000979 RNA polymerase II core promoter sequence-specific DNA binding
GO:0001222 transcription corepressor binding
GO:0003677 DNA binding
GO:0003682 chromatin binding
GO:0003714 transcription corepressor activity
GO:0003723 RNA binding
GO:0005515 protein binding
GO:0008168 methyltransferase activity
GO:0016279 protein-lysine N-methyltransferase activity
GO:0031490 chromatin DNA binding
GO:0031491 nucleosome binding
GO:0042054 histone methyltransferase activity
GO:0042393 histone binding
GO:0043021 ribonucleoprotein complex binding
GO:0043565 sequence-specific DNA binding
GO:0046976 histone H3K27 methyltransferase activity
GO:0070878 primary miRNA binding
GO:0106222 lncRNA binding
GO:0140938 histone H3 methyltransferase activity
GO:0140951 histone H3K27 trimethyltransferase activity
GO:1990841 promoter-specific chromatin binding
Biological Process
GO:0000082 G1/S transition of mitotic cell cycle
GO:0000122 negative regulation of transcription by RNA polymerase II
GO:0006325 chromatin organization
GO:0006338 chromatin remodeling
GO:0006346 DNA methylation-dependent heterochromatin formation
GO:0006355 regulation of DNA-templated transcription
GO:0006357 regulation of transcription by RNA polymerase II
GO:0008284 positive regulation of cell population proliferation
GO:0009913 epidermal cell differentiation
GO:0010468 regulation of gene expression
GO:0010629 negative regulation of gene expression
GO:0010718 positive regulation of epithelial to mesenchymal transition
GO:0014013 regulation of gliogenesis
GO:0014834 skeletal muscle satellite cell maintenance involved in skeletal muscle regeneration
GO:0014898 cardiac muscle hypertrophy in response to stress
GO:0021695 cerebellar cortex development
GO:0021766 hippocampus development
GO:0030097 hemopoiesis
GO:0030183 B cell differentiation
GO:0030216 keratinocyte differentiation
GO:0030335 positive regulation of cell migration
GO:0031048 regulatory ncRNA-mediated heterochromatin formation
GO:0031507 heterochromatin formation
GO:0031509 subtelomeric heterochromatin formation
GO:0032259 methylation
GO:0032355 response to estradiol
GO:0034244 negative regulation of transcription elongation by RNA polymerase II
GO:0035984 cellular response to trichostatin A
GO:0036211 protein modification process
GO:0036333 hepatocyte homeostasis
GO:0042127 regulation of cell population proliferation
GO:0042752 regulation of circadian rhythm
GO:0043406 positive regulation of MAP kinase activity
GO:0043547 positive regulation of GTPase activity
GO:0045605 negative regulation of epidermal cell differentiation
GO:0045617 negative regulation of keratinocyte differentiation
GO:0045814 negative regulation of gene expression, epigenetic
GO:0045892 negative regulation of DNA-templated transcription
GO:0048387 negative regulation of retinoic acid receptor signaling pathway
GO:0048511 rhythmic process
GO:0048863 stem cell differentiation
GO:0050767 regulation of neurogenesis
GO:0051154 negative regulation of striated muscle cell differentiation
GO:0051932 synaptic transmission, GABAergic
GO:0070301 cellular response to hydrogen peroxide
GO:0070314 G1 to G0 transition
GO:0071168 protein localization to chromatin
GO:0071902 positive regulation of protein serine/threonine kinase activity
GO:0090183 regulation of kidney development
GO:0097421 liver regeneration
GO:0140718 facultative heterochromatin formation
GO:1900006 positive regulation of dendrite development
GO:1900016 negative regulation of cytokine production involved in inflammatory response
GO:1902808 positive regulation of cell cycle G1/S phase transition
GO:1904772 response to tetrachloromethane
GO:2000134 negative regulation of G1/S transition of mitotic cell cycle
GO:2000737 negative regulation of stem cell differentiation
Cellular Component
GO:0000781 chromosome, telomeric region
GO:0000785 chromatin
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005677 chromatin silencing complex
GO:0005694 chromosome
GO:0005721 pericentric heterochromatin
GO:0035098 ESC/E(Z) complex
GO:0045120 pronucleus
GO:0045202 synapse

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Biological Process
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Cellular Component
External links
PDB RCSB:5hyn, PDBe:5hyn, PDBj:5hyn
PDBsum5hyn
PubMed27121947
UniProtQ15910|EZH2_HUMAN Histone-lysine N-methyltransferase EZH2 (Gene Name=EZH2)

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