Structure of PDB 5tqr Chain B Binding Site BS03

Receptor Information
>5tqr Chain B (length=809) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TEWTVDKIASALSVLAEEVPQNHSRLVNFLLEETEKRAPQPRHLSKTDPF
AHMKSKAIDANPEGVPTMDVKFKQHSGEYGKSRNSGRRFQYPVVCIKPDR
EPVPPYRFHHAEIRKNILALNSQLNFVPHKIQPRSQKIAKRAQAEYAATL
APYLEPWLRKLNIEGCTKSNLIRFMASQPESDDSMTPQQKSNLLDTYSDD
MGSPQAVRNASMFTEAWDRVFNDQSKLRRVALRDILMLDKNVEPIFDNKR
AKALMQKVIDALGSYTTLGCLICFSHDCEHGEIERDNQKRCFSLEEIGGL
MPSLRRKWAAQIEQRQHPPCRNECYRIHGTPPWSENEVGTLEWMFATIGY
SQTLRPECFVGAILGRPCWDVHRKLQELDLRLPPVEPRTIPKQKSLPWYD
RRKKQLMSDWADATITHEHAVRELFAPCHHDGPCTAANGCPCASAGTHPV
LCERFCLCTAEECPLKFTGCACHSSGKTCLQRQREGRPCICVQLNRECDP
TLCKGCGARERADPENAYDEVLHSTGCQNVALQRGAAKAVVLGKSQLEAC
GYGLFAAEDIEEGEFVIEYTGELISHDEGVRREHRRGDEENKVSYLFTLL
EQEGIWVDAAIYGNLSRYINHATDGNIMPKIMYVNHEWRIKFTAIKDIKA
GEELFFNYGDNFPNLTKKLVERNRPLLVPKTTQPLFDPLSKVQLLPGQPL
PQHPIDDSWLLLKHRDNLQDFIDLRPEEKEFLQEWDAFILRRHISSEQYL
PRYFLRFVREKADWLVSKRSRGEEFSKLVATLLARRVLPERVVIEATQVL
NDARGRLRE
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 chain5tqr Chain B Residue 8003 [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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PDB5tqr Polycomb repressive complex 2 in an autoinhibited state.
Resolution2.571 Å
Binding residue
(original residue number in PDB)		C727 C729 C736 C746
Binding residue
(residue number reindexed from 1)		C470 C472 C479 C489
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y826 Y918
Catalytic site (residue number reindexed from 1) Y569 Y658
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:5tqr, PDBe:5tqr, PDBj:5tqr
PDBsum5tqr
PubMed28607149
UniProtG0RYC6;
G0SDW4

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