9NCV

Crystal Structure of WDR5 in complex with Triazole-Based Inhibitors

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	WD repeat-containing protein 5	polymer	424	47074.1	4	UniProt (P61964) Pfam (PF00400)	Homo sapiens (human)	BMP2-induced 3-kb gene protein
2	E, F, G, H (A, B, C, D)	(6P)-6-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3-[(4-fluoro-3-methylphenyl)methyl]-8-[(2-methyl-1H-imidazol-1-yl)methyl]-4,5-dihydro-3H-naphtho[1,2-d][1,2,3]triazole	non-polymer		549.6	4	Chemie (A1BW8)
3	I, J, K, L (A, B, C, D)	water	water		18.0	1229	Chemie (HOH)

Sequence modifications

A, B, C, D: 22 - 334 (UniProt: P61964)

PDB	External Database	Details
Met -89	-	initiating methionine
Gly -88	-	expression tag
Ser -87	-	expression tag
Ser -86	-	expression tag
His -85	-	expression tag
His -84	-	expression tag
His -83	-	expression tag
His -82	-	expression tag
His -81	-	expression tag
His -80	-	expression tag
Gly -79	-	expression tag
Ser -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	4
	Total formula weight	188296.3
Non-Polymers*	Number of molecules	4
	Total formula weight	2198.3
All*	Total formula weight	190494.6

*Water molecules are not included.