5WFC

Humanized mutant of the Chaetomium thermophilum Polycomb Repressive Complex 2 bound to the inhibitor GSK343

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Polycomb Protein EED	polymer	605	66021.4	1	UniProt (G0S8H7) Pfam (PF00400) Pfam (PF22038) In PDB	Chaetomium thermophilum (strain DSM 1495 / CBS 144.50 / IMI 039719)
2	B	Histone-lysine-N-methyltransferase EZH2, Polycomb protein SUZ12 chimera	polymer	936	106801.7	1	UniProt (G0SDW4) UniProt (G0RYC6) Pfam (PF18601) Pfam (PF18600) Pfam (PF21509) Pfam (PF00856) Pfam (PF09733) In PDB	Chaetomium thermophilum (strain DSM 1495 / CBS 144.50 / IMI 039719)
3	D	Histone H3.1	polymer	11	1146.4	1	UniProt (P68431) In PDB	Homo sapiens	Histone H3/a,Histone H3/b,Histone H3/c,Histone H3/d,Histone H3/f,Histone H3/h,Histone H3/i,Histone H3/j,Histone H3/k,Histone H3/l
4	B	ZINC ION	non-polymer		65.4	8	Chemie (ZN)
5	B	N-[(6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl]-6-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-1-(propan-2-yl)-1H-indazole-4-carboxamide	non-polymer		541.7	1	Chemie (A97)
6		water	water		18.0	636	Chemie (HOH)

Sequence modifications

A: 1 - 565 (UniProt: G0S8H7)

PDB	External Database	Details
Met -39	-	initiating methionine
Ala -38	-	expression tag
Ser -37	-	expression tag
Ala -36	-	expression tag
Trp -35	-	expression tag
Ser -34	-	expression tag
His -33	-	expression tag
Pro -32	-	expression tag
Gln -31	-	expression tag
Phe -30	-	expression tag
Glu -29	-	expression tag
Lys -28	-	expression tag
Gly -27	-	expression tag
Gly -26	-	expression tag
Gly -25	-	expression tag
Ser -24	-	expression tag
Gly -23	-	expression tag
Gly -22	-	expression tag
Gly -21	-	expression tag
Ser -20	-	expression tag
Gly -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ala -16	-	expression tag
Trp -15	-	expression tag
Ser -14	-	expression tag
His -13	-	expression tag
Pro -12	-	expression tag
Gln -11	-	expression tag
Phe -10	-	expression tag
Glu -9	-	expression tag
Lys -8	-	expression tag
Leu -7	-	expression tag
Glu -6	-	expression tag
Val -5	-	expression tag
Leu -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
Pro 0	-	expression tag

B: 191 - 2523 (UniProt: G0SDW4)

PDB	External Database	Details
Ser 182	-	expression tag
Asn 183	-	expression tag
His 184	-	expression tag
His 185	-	expression tag
His 186	-	expression tag
His 187	-	expression tag
His 188	-	expression tag
His 189	-	expression tag
Ala 190	-	expression tag
Ile 302	Pro 302	engineered mutation
Tyr 304	Arg 304	engineered mutation
-	Glu 849	deletion
Lys 850	Glu 850	engineered mutation
Tyr 851	Asn 851	engineered mutation
Met 852	Lys 852	engineered mutation
Cys 853	Val 853	engineered mutation
Phe 855	Tyr 855	engineered mutation
Leu 2524	-	linker
Val 2525	-	linker
Pro 2526	-	linker
Arg 2527	-	linker
Gly 2528	-	linker
Ser 2529	-	linker

B: 2530 - 2691 (UniProt: G0RYC6)

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	173969.4
Non-Polymers*	Number of molecules	9
	Total formula weight	1065.0
All*	Total formula weight	175034.4

*Water molecules are not included.