7SS1: NTMT1

The structure of NTMT1 in complex with compound GD433. Determined by X-ray diffraction at 2.4 Å resolution. Released 16 Nov 2022.

Method: X-ray diffraction
Resolution: 2.4 Å
Organism: Homo sapiens
Chains: 2
Atoms: 3,625
Mol. weight: 56.22 kDa
Ligands: SAH, AKF
Released: 16 Nov 2022

Explore 7SS1 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7SS1 contains 32 α-helices and 20 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 16 helices, 10 β-strands

Element	Residues	Length	Sheet
α-helix	9-21	13
α-helix	27-30	4
α-helix	35-37	3
α-helix	38-53	16
α-helix	59-61	3
β-strand	64-68	5	1
α-helix	74-75	2
α-helix	76-80	5
α-helix	81-83	3
β-strand	86-91	6	1
α-helix	94-104	11
α-helix	105-110	6
β-strand	111-116	6	1
α-helix	124-125	2
β-strand	129-135	7	1
α-helix	138-140	3
α-helix	143-156	14
β-strand	157-170	14	1
α-helix	174	1
β-strand	175-177	3	2
β-strand	182-184	3	2
β-strand	185-186	2	1
α-helix	187-196	10
β-strand	201-206	6	1
α-helix	215	1
β-strand	216-222	7	1

Chain B: 16 helices, 10 β-strands

Element	Residues	Length	Sheet
α-helix	9-21	13
α-helix	27-30	4
α-helix	35-37	3
α-helix	38-53	16
α-helix	59-61	3
β-strand	64-68	5	3
α-helix	74-77	4
α-helix	80-83	4
β-strand	86-91	6	3
α-helix	94-103	10
α-helix	107-110	4
β-strand	111-116	6	3
α-helix	119-121	3
α-helix	124-125	2
β-strand	129-135	7	3
α-helix	138-140	3
α-helix	143-154	12
β-strand	157-169	13	3
α-helix	174	1
β-strand	175-177	3	4
β-strand	182-184	3	4
β-strand	185	1	3
α-helix	187-196	10
β-strand	201-206	6	3
α-helix	215	1
β-strand	216-222	7	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
N-terminal Xaa-Pro-Lys N-methyltransferase 1	A, B	protein	241	Homo sapiens	Q9BV86 (AlphaFold model)

Sequence of entity 1 (A, B), FASTA

>7SS1_1 N-terminal Xaa-Pro-Lys N-methyltransferase 1 (chains A, B)
MGSSHHHHHHSSGLVPRGSTSEVIEDEKQFYSKAKTYWKQIPPTVDGMLGGYGHISSIDI
NSSRKFLQRFLREGPNKTGTSCALDCGAGIGRITKRLLLPLFREVDMVDITEDFLVQAKT
YLGEEGKRVRNYFCCGLQDFTPEPDSYDVIWIQWVIGHLTDQHLAEFLRRCKGSLRPNGI
IVIKDNMAQEGVILDDVDSSVCRDLDVVRRIICSAGLSLLAEERQENLPDEIYHVYSFAL
R

Ligands and cofactors

ID	Name	Formula	Copies
SAH	S-adenosyl-L-homocysteine	C14 H20 N6 O5 S	2
AKF	(1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl {2-[2-(4-fluoro-3-hydroxyphenyl)-1,3-t…	C20 H24 F N3 O3 S	2

Primary citation

Discovery of a first-in-class small molecule inhibitor for Protein N-terminal methyltransferases 1/2. Yadav, R., Guangping, D., Deng, Y. et al. To be published.

Other PDB entries of the same protein (UniProt Q9BV86 (AlphaFold model), which also has an AlphaFold model), best resolution first:

5CVD 1.3 Å, Crystal structure of human NRMT1 in complex with alpha-N-dimethylated human CENP-A peptide
6WJ7 1.42 Å, The structure of NTMT1 in complex with compound C2A
5E1D 1.45 Å, NTMT1 in complex with YPKRIA peptide
6DTN 1.48 Å, The structure of NTMT1 in complex with compound DC100-1
6KDQ 1.5 Å, Crystal structure of human NRMT1 in complex with alpha-N-monomethylated human CENP-A…
5CVE 1.5 Å, Crystal Structure of human NRMT1 in complex with dimethylated fly H2B peptide and SAH
6PVB 1.5 Å, The structure of NTMT1 in complex with compound 6
5E1B 1.65 Å, Crystal structure of NRMT1 in complex with SPKRIA peptide
6WH8 1.73 Å, The structure of NTMT1 in complex with compound BM-30
2EX4 1.75 Å, Crystal Structure of Human methyltransferase AD-003 in complex with…
5E1M 1.75 Å, Crystal structure of NTMT1 in complex with PPKRIA peptide
5E2A 1.75 Å, Crystal structure of NTMT1 in complex with N-terminally methylated SPKRIA peptide

Browse structure collections

About this viewer

MolViewer shows 7SS1 directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.