← Back to search

9xwt

Phosphoglycerate mutase 1 complexed with a novel scaffold inhibitor

Method: X-RAY DIFFRACTION D_max: 87.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9xwt
deposition_date	2025-11-28
title	Phosphoglycerate mutase 1 complexed with a novel scaffold inhibitor
keywords	PGAM1, ISOMERASE, Inhibitor; ISOMERASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	25.41 Å
rg_electron	24.77 Å
i0	96720300.00
molecular_weight	51617.0 kDa
excluded_volume	49881 Å³
envelope_volume	81623 Å³
shell_volume	27818 Å³
envelope_diameter	90.9 Å
shell_rg	31.76 Å
envelope_rg	24.93 Å
shape_rg	24.69 Å
total_rg	25.47 Å
total_atoms	3943
n_residues	475
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

▼

3. P(r) Analysis (GNOM)

dmax	87.1 Å
rg_real	25.45 Å
rg_real_error	0.78 Å
i0_real	9.6720e+07
i0_real_error	1.2870e+06
rg_reciprocal	25.44 Å
i0_reciprocal	96720000.0000
total_estimate	0.8713
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.1 Å
skewness	0.439
kurtosis	-0.189
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	17660000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.789; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.970; Smooth: 0.990

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (6)

Entity 1 polymer

description	Phosphoglycerate mutase 1
formula_weight	29917.1 kDa
ec_number	5.4.2.11,5.4.2.4
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,C
atom_count	4008

MAAYKLVLIRHGESAWNLENRFSGWYDADLSPAGHEEAKRGGQALRDAGYEFDICFTSVQKRAIRTLWTVLDAIDQMWLPVVRTWRLNERHYGGLTGLNKAETAAKHGEAQVKIWRRSYDVPPPPMEPDHPFYSNISKDRRYADLTEDQLPSCESLKDTIARALPFWNEEIVPQIKEGKRVLIAAHGNSLRGIVKHLEGLSEEAIMELNLPTGIPIVYELDKNLKPIKPMQFLGDEETVRKAMEAVAAQGKAKKLEHHHHHH

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	7-bromanyl-5-chloranyl-1~{H}-indole-2-carboxylic acid
formula_weight	274.5 kDa
src_method	syn
entity_count	3

Entity 3 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	3

Entity 4 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	2-(N-MORPHOLINO)-ETHANESULFONIC ACID
formula_weight	195.2 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	59

▶

6. Citations (1)

▶

length_a	79.273 Å
length_b	83.114 Å
length_c	100.107 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.280 Å
resolution_low	49.770 Å
r_factor	0.1989
r_work	0.1962
r_free	0.2494

fit	/app/data/saxs_computation/xw/9xwt/9xwt.fit
pddf	/app/data/pr_computation/xw/9xwt/9xwt.pr.out
profile	/app/data/saxs_computation/xw/9xwt/9xwt.dat