5DDA

Menin in complex with MI-333

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Menin	polymer	489	54570.2	1	UniProt (O00255) Pfam (PF05053)	Homo sapiens (Human)
2	B (A)	4-{4-[5-(fluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine	non-polymer		418.4	1	Chemie (59M)
3	C, D, H, N (A)	DIMETHYL SULFOXIDE	non-polymer		78.1	4	Chemie (DMS)
4	E, F (A)	TRIETHYLENE GLYCOL	non-polymer		150.2	2	Chemie (PGE)
5	G (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
6	I, J, K, L, M (A)	SULFATE ION	non-polymer		96.1	5	Chemie (SO4)
7	O (A)	water	water		18.0	266	Chemie (HOH)

Sequence modifications

A: 1 - 459 (UniProt: O00255)

PDB	External Database	Details
Gly -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
Ser -1	-	expression tag
Ser 0	-	expression tag
-	Ile 54	deletion
-	Pro 55	deletion
-	Thr 56	deletion
-	Asn 57	deletion
-	Val 58	deletion
-	Pro 59	deletion
-	Glu 60	deletion
-	Leu 61	deletion
-	Thr 62	deletion
-	Phe 63	deletion
-	Gln 64	deletion
-	Pro 65	deletion
-	Ser 66	deletion
-	Pro 67	deletion
-	Ala 68	deletion
-	Pro 69	deletion
-	Asp 70	deletion
-	Pro 71	deletion
-	Pro 72	deletion
-	Gly 73	deletion
-	Glu 387	deletion
-	Glu 388	deletion
-	Arg 389	deletion
-	Pro 390	deletion
-	Gly 391	deletion
-	Glu 392	deletion
-	Gln 393	deletion
-	Ser 394	deletion
-	Gln 395	deletion
-	Gly 396	deletion
-	Thr 397	deletion
-	Gln 398	deletion

A: 537 - 593 (UniProt: O00255)

PDB	External Database	Details
Ala 541	Thr 541	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	54570.2
Non-Polymers*	Number of molecules	13
	Total formula weight	1573.7
All*	Total formula weight	56143.9

*Water molecules are not included.