5DB3

Menin in complex with MI-574

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, H, I (A)	DIMETHYL SULFOXIDE	non-polymer		78.1	3	Chemie (DMS)
3	C, L (A)	TETRAETHYLENE GLYCOL	non-polymer		194.2	2	Chemie (PG4)
4	D, E, F, G (A)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
5	J (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
6	K (A)	6-methoxy-4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile	non-polymer		594.7	1	Chemie (58Q)
7	M (A)	water	water		18.0	399	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	11
	Total formula weight	1707.9
All*	Total formula weight	56278.1

*Water molecules are not included.