6WH8

The structure of NTMT1 in complex with compound BM-30

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (B, A)	N-terminal Xaa-Pro-Lys N-methyltransferase 1	polymer	241	27320.1	2	UniProt (Q9BV86) Pfam (PF05891)	Homo sapiens (Human)	Alpha N-terminal protein methyltransferase 1A,Methyltransferase-like protein 11A,N-terminal RCC1 methyltransferase,X-Pro-Lys N-terminal protein methyltransferase 1A,NTM1A
2	C, D (C, D)	4HP-PRO-LYS-ARG-NH2, BM-30	polymer	5	533.6	2	BIRD (PRD_002315)	synthetic construct
3	E, F (B, A)	S-ADENOSYL-L-HOMOCYSTEINE	non-polymer		384.4	2	Chemie (SAH)
4	G, H, I, J (B, A, C, D)	water	water		18.0	560	Chemie (HOH)

Sequence modifications

B, A: 2 - 223 (UniProt: Q9BV86)

PDB	External Database	Details
Met -17	-	expression tag
Gly -16	-	expression tag
Ser -15	-	expression tag
Ser -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
Ser -7	-	expression tag
Ser -6	-	expression tag
Gly -5	-	expression tag
Leu -4	-	expression tag
Val -3	-	expression tag
Pro -2	-	expression tag
Arg -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	55707.4
Non-Polymers*	Number of molecules	2
	Total formula weight	768.8
All*	Total formula weight	56476.3

*Water molecules are not included.