9C94

Crystal structure of menin in complex with inhibitor compound 20

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 (A, B)	Menin	polymer	507	57010.5	2	UniProt (O00255) Pfam (PF05053)	Homo sapiens (human)
2	C, D (A, B)	{5-fluoro-2-[(5-{7-[(1-methylcyclopropyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl}-1,2,4-triazin-6-yl)oxy]phenyl}[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]methanone	non-polymer		522.6	2	Chemie (A1AVG)
3	E, F (A, B)	water	water		18.0	609	Chemie (HOH)

Sequence modifications

A, B: 2 - 457 (UniProt: O00255)

PDB	External Database	Details
Met -17	-	initiating methionine
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Arg -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag
Thr 5	Ala 5	engineered mutation

A, B: 552 - 583 (UniProt: O00255)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	114021.0
Non-Polymers*	Number of molecules	2
	Total formula weight	1045.2
All*	Total formula weight	115066.2

*Water molecules are not included.