Structure of PDB 5wfd Chain B Binding Site BS03

Receptor Information
>5wfd Chain B (length=774) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EWTVDKIASALSVLAEEVPQNHSRLVNFLLEETEKRAPQPRHLSKTDPFA
HMKSKAIGVPTMDVKFKQHSGEYGKSRNSGRRFQYPVVCIKPDREPVPIY
YFHHAEIRKNILALNSQLNPRSQKIAKRAQAEYAATLAPYLEPWLRKLNI
EGCTKSNLIRFMASQPESDDSMTPQQKSNLLDTYSDDMGSPQAVRNASMF
TEAWDRVFNDQSKLRRVALRDILMLDKNVEPIFDNKRAKLMQKVIDALGS
YTTLGCLICFSHDCEHGEIERDNQKRCFSLEEIGGLMPSLRRKWAAQIEQ
HPPCRNECYRIHGNQQVPPWSENEVGTLEWMFATIGYSQTLRPECFVGAI
LGRPCWDVHRKLQELPPVEPTIPKQKSLPWYDRRKKQLMSDWADATITHE
HAVRELFAPCHHDGPCTAANGCPCASAGTHPVLCERFCLCTAEECPLKFT
GCACHSSGKTCLQRQGRPCICVQLNRECDPTLCKGCGARERADPENAYDE
VLHSTGQNVALQRGAAKAVVLGKSQLEACGYGLFAAEDIEEGEFVIEYTG
ELISHDEGVRREHRRGFLFTLLEQEGIWVDAAIYGNLSRYINHATDGNIM
PKIMYVNHEWRIKFTAIKDIKAGEELFFNYGDNFPNLTRPLLVPKTTQPL
FDPLSKVQLLPGQPLPQHPIDDSWLLLKHRDNLQDFIDLRPEEKEFLQEW
DAFILRRHISSEQYLPRYFLRFVREKADWLVSKRSRGEEFSKLVATLLAR
RVLPERVVIEATQVLNDARGRLRE
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 chain5wfd 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

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5wfd An Evolutionarily Conserved Structural Platform for PRC2 Inhibition by a Class of Ezh2 Inhibitors.
Resolution2.654 Å
Binding residue
(original residue number in PDB)		C727 C729 C736 C746
Binding residue
(residue number reindexed from 1)		C452 C454 C461 C469
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0042054 histone methyltransferase activity
Biological Process
GO:0006338 chromatin remodeling

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5wfd, PDBe:5wfd, PDBj:5wfd
PDBsum5wfd
PubMed29904056
UniProtG0RYC6;
G0SDW4

[Back to BioLiP]