Structure of PDB 5kji Chain B Binding Site BS01

Receptor Information
>5kji Chain B (length=761) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EWTVDKIASALSVLAEEVPQNHSRLVNFLLEETEKRAPQPRHLSKTDPFA
HMKSKAIDPTMDVKFKQHSGEYGKSRNSGRRFQYPVVCIKPDREPVPPYR
FHHAEIRKNILALNSRSQKIAKRAQAEYAATLAPYLEPWLRKLNIEGCTK
SNLIRFMASSMTPQQKSNLLDTYSDDMAVRNASMFTEAWDRVFNDQSLRR
VALRDILMLDKNVEPIFEALMQKVIDALGSYTTLGCLICFSHDCEHGEIE
RDNQKRCFSLEEIGGLMPSLRRKWAAQIEQRPPCRNECYRIHGTGNQQVP
PWSENEVGTLEWMFATIGYSQLRPECFVGAILGRPCWDVHRKLQELDLRL
PIPKQKSLPWYDRRKKQLMSDWADATITHEHAVRELFAPCHHDGPCTAAN
GCPCASAGTHPVLCERFCLCTAEECPLKFTGCACHSSGKTCLQQREGRPC
ICVQLNRECDPTLCKGCGARERADPENAYDEVLHSTGCQNVALQRGAAKA
VVLGKSQLEACGYGLFAAEDIEEGEFVIEYTGELISHDEGVRREHRKVSY
LFTLLEQEGIWVDAAIYGNLSRYINHATDGNIMPKIMYVNHEWRIKFTAI
KDIKAGEELFFNYGDNLTKKMLPGRGVPLLVPKTTQPLFDPLSKVQLLPG
QPLPQHPIDDSWLLLKHRDNLQDFIDLRPEEKEFLQEWDAFILRRHISSE
QYLPRYFLRFVREKADWLVSKRSRGEEFSKLVATLLARRVLPERVVIEAT
QVLNDARGRLR
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 chain5kji Chain B Residue 8001 [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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PDB5kji Response to Comment on "Structural basis of histone H3K27 trimethylation by an active polycomb repressive complex 2".
Resolution2.71 Å
Binding residue
(original residue number in PDB)		C727 C748 C755 C760
Binding residue
(residue number reindexed from 1)		C432 C452 C459 C464
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y826 Y918
Catalytic site (residue number reindexed from 1) Y530 Y613
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0042054 histone methyltransferase activity
Biological Process
GO:0006338 chromatin remodeling

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5kji, PDBe:5kji, PDBj:5kji
PDBsum5kji
PubMed28008038
UniProtG0RYC6;
G0SDW4

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