Crystal structure of Pseudomonas 7A Glutaminase-asparaginase with the inhibitor donv covalently bound in the active site

Method: X-RAY DIFFRACTION D_max: 87.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1djo
deposition_date	1999-12-03
title	Crystal structure of Pseudomonas 7A Glutaminase-asparaginase with the inhibitor donv covalently bound in the active site
keywords	;PGA, Glutaminase, Asparaginase, DONV, 5-diazo-4-oxo-L-norvaline, Glutaminase-Asparaginase, suicide inhibitor, covalently bound inhibitor, HYDROLASE-HYDROLASE INHIBITOR complex ;; HYDROLASE/HYDROLASE INHIBITOR
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	26.04 Å
rg_electron	25.21 Å
i0	83986800.00
molecular_weight	70971.0 kDa
excluded_volume	88572 Å³
envelope_volume	102990 Å³
shell_volume	33273 Å³
envelope_diameter	89.3 Å
shell_rg	33.31 Å
envelope_rg	25.47 Å
shape_rg	25.18 Å
total_rg	26.12 Å
total_atoms	4988
n_residues	660
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	87.5 Å
rg_real	25.98 Å
rg_real_error	0.60 Å
i0_real	8.3990e+07
i0_real_error	1.1460e+06
rg_reciprocal	26.00 Å
i0_reciprocal	83990000.0000
total_estimate	0.8038
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	30.1 Å
skewness	0.313
kurtosis	-0.308
angular_range	— – 0.3050 Å⁻¹
current_alpha	0.0000
highest_alpha	27390000.0000
n_real_points	62
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.816; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (1)

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length_a	78.370 Å
length_b	135.890 Å
length_c	137.560 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	2.000 Å
resolution_low	25.920 Å
r_factor	0.2140
r_work	0.2140
r_free	0.2380

description	GLUTAMINASE-ASPARAGINASE
formula_weight	35396.0 kDa
ec_number	3.5.1.38
src_method	nat
entity_count	2

type	polypeptide(L)
strand_id	A,B
atom_count	4988

Crystal structure of Pseudomonas 7A Glutaminase-asparaginase with the inhibitor donv covalently bound in the active site

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 (2)

Entity 1 polymer

Polymer

Entity 2 non-polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

description	4,4-dihydroxy-5-oxo-L-norvaline
formula_weight	163.1 kDa
src_method	syn
entity_count	2

fit	/app/data/saxs_computation/dj/1djo/1djo.fit
pddf	/app/data/pr_computation/dj/1djo/1djo.pr.out
profile	/app/data/saxs_computation/dj/1djo/1djo.dat