5IJ8

Structure of the primary oncogenic mutant Y641N Hs/AcPRC2 in complex with a pyridone inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Enhancer of Zeste Homolog 2 (EZH2),Histone-lysine N-methyltransferase EZH2	polymer	643	72892.4	2	UniProt (G1KPH4) UniProt (Q15910) Pfam (PF11616) Pfam (PF18118) Pfam (PF21358) Pfam (PF18264) Pfam (PF00856) In PDB	Anolis carolinensis (Green anole)	ENX-1,Enhancer of zeste homolog 2,Lysine N-methyltransferase 6
2	E, F	Polycomb protein EED	polymer	362	41776.5	2	UniProt (O75530) Pfam (PF00400) In PDB	Homo sapiens (Human)	hEED,WD protein associating with integrin cytoplasmic tails 1,WAIT-1
3	S, T	Polycomb protein SUZ12	polymer	191	22268.7	2	UniProt (Q15022) Pfam (PF09733) In PDB	Homo sapiens (Human)	Chromatin precipitated E2F target 9 protein,ChET 9 protein,Joined to JAZF1 protein,Suppressor of zeste 12 protein homolog
4	A, B	5,8-dichloro-2-[(4-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-({1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl}oxy)-3,4-dihydroisoquinolin-1(2H)-one	non-polymer		536.4	2	Chemie (6BN)
5	A, B	ZINC ION	non-polymer		65.4	14	Chemie (ZN)

Sequence modifications

A, B: 1 - 428 (UniProt: G1KPH4)
A, B: 429 - 746 (UniProt: Q15910)

PDB	External Database	Details
-	Pro 449	deletion
-	Pro 450	deletion
-	Arg 451	deletion
-	Lys 452	deletion
Leu 492	Lys 453	linker
Gly 493	Lys 454	linker
Gly 494	Arg 455	linker
Gly 495	Lys 456	linker
Gly 496	His 457	linker
Ser 497	Arg 458	linker
Gly 498	Leu 459	linker
Gly 499	Trp 460	linker
Gly 500	Ala 461	linker
Gly 501	Ala 462	linker
Ser 502	His 463	linker
Gly 503	Cys 464	linker
Gly 504	Arg 465	linker
Gly 505	Lys 466	linker
Gly 506	Ile 467	linker
Ser 507	Gln 468	linker
Ala 508	Leu 469	linker
Ala 509	Lys 470	linker
Ala 510	Lys 471	linker
Asn 532	Ser 493	linker
Asn 641	Tyr 602	engineered mutation

E, F: 67 - 427 (UniProt: O75530)

PDB	External Database	Details
Met 66	-	initiating methionine

S, T: 545 - 725 (UniProt: Q15022)

PDB	External Database	Details
Met 535	-	initiating methionine
Asp 536	-	expression tag
Tyr 537	-	expression tag
Lys 538	-	expression tag
Asp 539	-	expression tag
Asp 540	-	expression tag
Asp 541	-	expression tag
Asp 542	-	expression tag
Lys 543	-	expression tag
Gly 544	-	expression tag
Asp 583	Ser 583	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	273875.4
Non-Polymers*	Number of molecules	16
	Total formula weight	1988.6
All*	Total formula weight	275864.0

*Water molecules are not included.