5M23

Modulation of MLL1 Methyltransferase Activity

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	WD repeat-containing protein 5	polymer	434	48112.3	1	UniProt (P61964) Pfam (PF00400) In PDB	Homo sapiens (Human)	BMP2-induced 3-kb gene protein
2	A	4-[(~{E})-[4-[[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]amino]propanoyl]amino]-5-carbamimidamido-pentanoyl]amino]propanoyl]amino]methyl]phenyl]diazenyl]-~{N}-[(2~{S})-3-methyl-1-oxidanylidene-butan-2-yl]benzamide	non-polymer		723.8	1	Chemie (7DC)
3		water	water		18.0	93	Chemie (HOH)

Sequence modifications

A: 22 - 334 (UniProt: P61964)

PDB	External Database	Details
Met -99	-	initiating methionine
Gly -98	-	expression tag
Ser -97	-	expression tag
Ser -96	-	expression tag
His -95	-	expression tag
His -94	-	expression tag
His -93	-	expression tag
His -92	-	expression tag
His -91	-	expression tag
His -90	-	expression tag
Ser -89	-	expression tag
Ser -88	-	expression tag
Gly -87	-	expression tag
Leu -86	-	expression tag
Val -85	-	expression tag
Pro -84	-	expression tag
Arg -83	-	expression tag
Gly -82	-	expression tag
Ser -81	-	expression tag
His -80	-	expression tag
Met -79	-	expression tag
Ala -78	-	expression tag
Ser -77	-	expression tag
Met -76	-	expression tag
Ser -75	-	expression tag
Asp -74	-	expression tag
Ser -73	-	expression tag
Glu -72	-	expression tag
Val -71	-	expression tag
Asn -70	-	expression tag
Gln -69	-	expression tag
Glu -68	-	expression tag
Ala -67	-	expression tag
Lys -66	-	expression tag
Pro -65	-	expression tag
Glu -64	-	expression tag
Val -63	-	expression tag
Lys -62	-	expression tag
Pro -61	-	expression tag
Glu -60	-	expression tag
Val -59	-	expression tag
Lys -58	-	expression tag
Pro -57	-	expression tag
Glu -56	-	expression tag
Thr -55	-	expression tag
His -54	-	expression tag
Ile -53	-	expression tag
Asn -52	-	expression tag
Leu -51	-	expression tag
Lys -50	-	expression tag
Val -49	-	expression tag
Ser -48	-	expression tag
Asp -47	-	expression tag
Gly -46	-	expression tag
Ser -45	-	expression tag
Ser -44	-	expression tag
Glu -43	-	expression tag
Ile -42	-	expression tag
Phe -41	-	expression tag
Phe -40	-	expression tag
Lys -39	-	expression tag
Ile -38	-	expression tag
Lys -37	-	expression tag
Lys -36	-	expression tag
Thr -35	-	expression tag
Thr -34	-	expression tag
Pro -33	-	expression tag
Leu -32	-	expression tag
Arg -31	-	expression tag
Arg -30	-	expression tag
Leu -29	-	expression tag
Met -28	-	expression tag
Glu -27	-	expression tag
Ala -26	-	expression tag
Phe -25	-	expression tag
Ala -24	-	expression tag
Lys -23	-	expression tag
Arg -22	-	expression tag
Gln -21	-	expression tag
Gly -20	-	expression tag
Lys -19	-	expression tag
Glu -18	-	expression tag
Met -17	-	expression tag
Asp -16	-	expression tag
Ser -15	-	expression tag
Leu -14	-	expression tag
Arg -13	-	expression tag
Phe -12	-	expression tag
Leu -11	-	expression tag
Tyr -10	-	expression tag
Asp -9	-	expression tag
Gly -8	-	expression tag
Ile -7	-	expression tag
Arg -6	-	expression tag
Ile -5	-	expression tag
Gln -4	-	expression tag
Ala -3	-	expression tag
Asp -2	-	expression tag
Gln -1	-	expression tag
Thr 0	-	expression tag
Pro 1	-	expression tag
Glu 2	-	expression tag
Asp 3	-	expression tag
Leu 4	-	expression tag
Asp 5	-	expression tag
Met 6	-	expression tag
Glu 7	-	expression tag
Asp 8	-	expression tag
Asn 9	-	expression tag
Asp 10	-	expression tag
Ile 11	-	expression tag
Ile 12	-	expression tag
Glu 13	-	expression tag
Ala 14	-	expression tag
His 15	-	expression tag
Arg 16	-	expression tag
Glu 17	-	expression tag
Gln 18	-	expression tag
Ile 19	-	expression tag
Gly 20	-	expression tag
Gly 21	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	48112.3
Non-Polymers*	Number of molecules	1
	Total formula weight	723.8
All*	Total formula weight	48836.1

*Water molecules are not included.