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9rs0

Crystal structure of the human METTL3-METTL14 in complex with compound 2 (T148)

Method: X-RAY DIFFRACTION D_max: 84.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9rs0
deposition_date	2025-06-30
title	Crystal structure of the human METTL3-METTL14 in complex with compound 2 (T148)
keywords	METTL3, inhibitor, complex, m6A, TRANSFERASE; TRANSFERASE
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	24.42 Å
rg_electron	23.93 Å
i0	75637900.00
molecular_weight	46062.0 kDa
excluded_volume	44811 Å³
envelope_volume	72209 Å³
shell_volume	25854 Å³
envelope_diameter	87.7 Å
shell_rg	30.46 Å
envelope_rg	24.15 Å
shape_rg	23.93 Å
total_rg	24.47 Å
total_atoms	3493
n_residues	442
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	84.9 Å
rg_real	24.51 Å
rg_real_error	0.61 Å
i0_real	7.5640e+07
i0_real_error	1.0370e+06
rg_reciprocal	24.49 Å
i0_reciprocal	75640000.0000
total_estimate	0.8518
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	83.5 Å
skewness	0.502
kurtosis	-0.111
angular_range	— – 0.3250 Å⁻¹
current_alpha	0.0000
highest_alpha	15400000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.737; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.885; Smooth: 0.974

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	N6-adenosine-methyltransferase catalytic subunit
formula_weight	26017.8 kDa
ec_number	2.1.1.348
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3749

MALTQSVGGDSSADRLFPPQWICCDIRYLDVSILGKFAVVMADPPWDIHMELPYGTLTDDEMRRLNIPVLQDDGFLFLWVTGRAMELGRECLNLWGYERVDEIIWVKTNQLQRIIRTGRTGHWLNHGKEHCLVGVKGNPQGFNQGLDCDVIVAEVRSTSHKPDEIYGMIERLSPGTRKIELFGRPHNVQPNWITLGNQLDGIHLLDPDVVARFKQRYPDGIISKPKNL

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Spodoptera frugiperda

Entity 2 polymer

description	N(6)-adenosine-methyltransferase non-catalytic subunit METTL14
formula_weight	35690.4 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

MHHHHHHSSGRENLYFQGLKGTQSLNPHNDYCQHFVDTGHRPQNFIRDVGLADRFEEYPKLRELIRLKDELIAKSNTPPMYLQADIEAFDIRELTPKFDVILLEPPLEEYYRETGITANEKCWTWDDIMKLEIDEIAAPRSFIFLWCGSGEGLDLGRVCLRKWGYRRCEDICWIKTNKNNPGKTKTLDPKAVFQRTKEHCLMGIKGTVKRSTDGDFIHANVDIDLIITEEPEIGNIEKPVEIFHIIEHFCLGRRRLHLFGRDSTIRPGWLTVGPTLTNSNYNAETYASYFSAPNSYLTGCTEEIERL

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Spodoptera frugiperda

Entity 3 non-polymer

description	4-[[[4-[(4,4-dimethylpiperidin-1-yl)methyl]-2-oxidanyl-phenyl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-4-ol
formula_weight	530.7 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	ACETATE ION
formula_weight	59.0 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	250

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6. Citations (1)

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length_a	63.790 Å
length_b	63.790 Å
length_c	225.220 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 32 2 1
int_tables_number	154
crystal_system	trigonal

resolution	2.000 Å
resolution_low	49.600 Å
r_factor	0.1954
r_work	0.1930
r_free	0.2407

fit	/app/data/saxs_computation/rs/9rs0/9rs0.fit
pddf	/app/data/pr_computation/rs/9rs0/9rs0.pr.out
profile	/app/data/saxs_computation/rs/9rs0/9rs0.dat

Crystal structure of the human METTL3-METTL14 in complex with compound 2 (T148)

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction

5. Entities & Polymer Info (5)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)