← Back to search

1a3w

PYRUVATE KINASE FROM SACCHAROMYCES CEREVISIAE COMPLEXED WITH FBP, PG, MN2+ AND K+

Method: X-RAY DIFFRACTION D_max: 96.8 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1a3w
deposition_date	1998-01-26
title	PYRUVATE KINASE FROM SACCHAROMYCES CEREVISIAE COMPLEXED WITH FBP, PG, MN2+ AND K+
keywords	PYRUVATE KINASE, ALLOSTERIC REGULATION, TRANFERASE, TRANSFERASE; TRANSFERASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	31.08 Å
rg_electron	30.26 Å
i0	184779000.00
molecular_weight	108270.0 kDa
excluded_volume	135760 Å³
envelope_volume	164950 Å³
shell_volume	44202 Å³
envelope_diameter	105.6 Å
shell_rg	38.52 Å
envelope_rg	30.37 Å
shape_rg	30.29 Å
total_rg	30.86 Å
total_atoms	7581
n_residues	981
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	96.8 Å
rg_real	30.93 Å
rg_real_error	0.53 Å
i0_real	1.8480e+08
i0_real_error	2.6590e+06
rg_reciprocal	31.00 Å
i0_reciprocal	184800000.0000
total_estimate	0.9071
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	38.0 Å
skewness	0.151
kurtosis	-0.584
angular_range	— – 0.2550 Å⁻¹
current_alpha	0.0000
highest_alpha	45610000.0000
n_real_points	52
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.941; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.967

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (5)

Entity 1 polymer

description	PYRUVATE KINASE
formula_weight	54612.4 kDa
ec_number	2.7.1.40
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	7581

MSRLERLTSLNVVAGSDLRRTSIIGTIGPKTNNPETLVALRKAGLNIVRMNFSHGSYEYHKSVIDNARKSEELYPGRPLAIALDTKGPEIRTGTTTNDVDYPIPPNHEMIFTTDDKYAKACDDKIMYVDYKNITKVISAGRIIYVDDGVLSFQVLEVVDDKTLKVKALNAGKICSHKGVNLPGTDVDLPALSEKDKEDLRFGVKNGVHMVFASFIRTANDVLTIREVLGEQGKDVKIIVKIENQQGVNNFDEILKVTDGVMVARGDLGIEIPAPEVLAVQKKLIAKSNLAGKPVICATQMLESMTYNPRPTRAEVSDVGNAILDGADCVMLSGETAKGNYPINAVTTMAETAVIAEQAIAYLPNYDDMRNCTPKPTSTTETVAASAVAAVFEQKAKAIIVLSTSGTTPRLVSKYRPNCPIILVTRCPRAARFSHLYRGVFPFVFEKEPVSDWTDDVEARINFGIEKAKEFGILKKGDTYVSIQGFKAGAGHSNTLQVSTV

Entity 2 non-polymer

description	2-PHOSPHOGLYCOLIC ACID
formula_weight	156.0 kDa
src_method	man
entity_count	2

Entity 3 non-polymer

description	1,6-di-O-phosphono-beta-D-fructofuranose
formula_weight	340.1 kDa
src_method	man
entity_count	2

Entity 4 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	POTASSIUM ION
formula_weight	39.1 kDa
src_method	syn
entity_count	2

▶

6. Citations (1)

▶

length_a	109.400 Å
length_b	102.700 Å
length_c	110.900 Å
angle_alpha	90.00 °
angle_beta	112.30 °
angle_gamma	90.00 °
z_pdb	8

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	3.000 Å
resolution_low	100.000 Å
r_factor	0.2180
r_work	0.2180
r_free	0.3230

fit	/app/data/saxs_computation/a3/1a3w/1a3w.fit
pddf	/app/data/pr_computation/a3/1a3w/1a3w.pr.out
profile	/app/data/saxs_computation/a3/1a3w/1a3w.dat

PYRUVATE KINASE FROM SACCHAROMYCES CEREVISIAE COMPLEXED WITH FBP, PG, MN2+ AND K+

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