← Back to search

1enz

CRYSTAL STRUCTURE AND FUNCTION OF THE ISONIAZID TARGET OF MYCOBACTERIUM TUBERCULOSIS

Method: X-RAY DIFFRACTION D_max: 61.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1enz
deposition_date	1995-01-27
title	CRYSTAL STRUCTURE AND FUNCTION OF THE ISONIAZID TARGET OF MYCOBACTERIUM TUBERCULOSIS
keywords	Structural Genomics, PSI, Protein Structure Initiative, TB Structural Genomics Consortium, TBSGC, OXIDOREDUCTASE; OXIDOREDUCTASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	19.02 Å
rg_electron	17.91 Å
i0	15060400.00
molecular_weight	29010.0 kDa
excluded_volume	36275 Å³
envelope_volume	41795 Å³
shell_volume	19267 Å³
envelope_diameter	60.0 Å
shell_rg	24.46 Å
envelope_rg	18.16 Å
shape_rg	17.94 Å
total_rg	18.78 Å
total_atoms	2037
n_residues	268
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	61.6 Å
rg_real	18.89 Å
rg_real_error	0.39 Å
i0_real	1.5060e+07
i0_real_error	1.8640e+05
rg_reciprocal	18.91 Å
i0_reciprocal	15060000.0000
total_estimate	0.8053
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	24.8 Å
skewness	0.151
kurtosis	-0.387
angular_range	— – 0.4200 Å⁻¹
current_alpha	0.0000
highest_alpha	3300000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.823; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.000

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (3)

Entity 1 polymer

description	ENOYL-ACYL CARRIER PROTEIN (ACP) REDUCTASE
formula_weight	28377.6 kDa
mutation	S94A
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2085

AGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHAIGFMPQTGMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTGDIIYADGGAHTQLL

Source

organism	Mycobacterium tuberculosis
ncbi_taxonomy_id	1773
host_organism	Escherichia coli

Entity 2 non-polymer

description	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
formula_weight	663.4 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	48

▶

6. Citations (1)

▶

length_a	100.140 Å
length_b	100.140 Å
length_c	139.950 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 62 2 2
int_tables_number	180
crystal_system	—

resolution	2.700 Å
resolution_low	— Å
r_factor	0.1930
r_work	0.1930
r_free	—

fit	/app/data/saxs_computation/en/1enz/1enz.fit
pddf	/app/data/pr_computation/en/1enz/1enz.pr.out
profile	/app/data/saxs_computation/en/1enz/1enz.dat