Structure of PDB 5wfd Chain B

Receptor sequence

>5wfdB (length=774) Species: 759272 (Thermochaetoides thermophila DSM 1495)

EWTVDKIASALSVLAEEVPQNHSRLVNFLLEETEKRAPQPRHLSKTDPFA
HMKSKAIGVPTMDVKFKQHSGEYGKSRNSGRRFQYPVVCIKPDREPVPIY
YFHHAEIRKNILALNSQLNPRSQKIAKRAQAEYAATLAPYLEPWLRKLNI
EGCTKSNLIRFMASQPESDDSMTPQQKSNLLDTYSDDMGSPQAVRNASMF
TEAWDRVFNDQSKLRRVALRDILMLDKNVEPIFDNKRAKLMQKVIDALGS
YTTLGCLICFSHDCEHGEIERDNQKRCFSLEEIGGLMPSLRRKWAAQIEQ
HPPCRNECYRIHGNQQVPPWSENEVGTLEWMFATIGYSQTLRPECFVGAI
LGRPCWDVHRKLQELPPVEPTIPKQKSLPWYDRRKKQLMSDWADATITHE
HAVRELFAPCHHDGPCTAANGCPCASAGTHPVLCERFCLCTAEECPLKFT
GCACHSSGKTCLQRQGRPCICVQLNRECDPTLCKGCGARERADPENAYDE
VLHSTGQNVALQRGAAKAVVLGKSQLEACGYGLFAAEDIEEGEFVIEYTG
ELISHDEGVRREHRRGFLFTLLEQEGIWVDAAIYGNLSRYINHATDGNIM
PKIMYVNHEWRIKFTAIKDIKAGEELFFNYGDNFPNLTRPLLVPKTTQPL
FDPLSKVQLLPGQPLPQHPIDDSWLLLKHRDNLQDFIDLRPEEKEFLQEW
DAFILRRHISSEQYLPRYFLRFVREKADWLVSKRSRGEEFSKLVATLLAR
RVLPERVVIEATQVLNDARGRLRE

3D structure

• PDB: 5wfd An Evolutionarily Conserved Structural Platform for PRC2 Inhibition by a Class of Ezh2 Inhibitors.
• Chain: B
• Resolution: 2.654 Å

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	ZN	B	C727 C748 C755 C760	C452 C471 C478 C483
BS02	ZN	B	C736 C755 C763	C461 C478 C486
BS03	ZN	B	C727 C729 C736 C746	C452 C454 C461 C469
BS04	ZN	B	C685 H687 C691 C697	C410 H412 C416 C422
BS05	ZN	B	C691 C709 C715 C720	C416 C434 C440 C445
BS06	ZN	B	C699 C709 C713	C424 C434 C438
BS07	ZN	B	C508 C511 C516 H518	C256 C259 C264 H266
BS08	ZN	B	C570 C615 C625	C304 C345 C355
BS09	A9G	B	I302 Y303 Y304 H307 G808 Y809 R843 Y878	I99 Y100 Y101 H104 G530 Y531 R565 Y590	PDBbind-CN: -logKd/Ki=4.58,IC50=26.2uM

Gene Ontology

Molecular Function

• GO:0042054 histone methyltransferase activity

Biological Process

• GO:0006338 chromatin remodeling

External links

• PDB: RCSB:5wfd, PDBe:5wfd, PDBj:5wfd
• PDBsum: 5wfd
• PubMed: 29904056
• UniProt: G0RYC6;
  G0SDW4