7RKK

Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with II399 (C2 space group)

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)	NNMT protein	polymer	283	31466.0	2	UniProt (Q6FH49) Pfam (PF01234) UniProt (by SIFTS) (P40261)	Homo sapiens (Human)	Nicotinamide N-methyltransferase,isoform CRA_a
2	C, D (A, B)	3-[3-(acetyl{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)prop-1-yn-1-yl]benzamide	non-polymer		481.9	2	Chemie (5R4)
3	E, F (A, B)	water	water		18.0	50	Chemie (HOH)

Sequence modifications

A, B: 1 - 264 (UniProt: Q6FH49)

PDB	External Database	Details
Met -18	-	expression tag
Gly -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Ser -8	-	expression tag
Ser -7	-	expression tag
Gly -6	-	expression tag
Leu -5	-	expression tag
Val -4	-	expression tag
Pro -3	-	expression tag
Arg -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Ala 100	Lys 100	engineered mutation
Ala 101	Glu 101	engineered mutation
Ala 103	Glu 103	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	62932.1
Non-Polymers*	Number of molecules	2
	Total formula weight	963.9
All*	Total formula weight	63895.9

*Water molecules are not included.