← Back to search

9qor

;APH(2'')-IVa with an inhibitor ;

Method: X-RAY DIFFRACTION D_max: 109.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9qor
deposition_date	2025-03-26
last_revision	2026-02-11
title	;APH(2'')-IVa with an inhibitor ;
keywords	inhibitor, complex, enzyme, ANTIBIOTIC; ANTIBIOTIC
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	33.06 Å
rg_electron	33.20 Å
i0	138160000.00
molecular_weight	63883.0 kDa
excluded_volume	62493 Å³
envelope_volume	113630 Å³
shell_volume	30668 Å³
envelope_diameter	117.6 Å
shell_rg	36.94 Å
envelope_rg	32.73 Å
shape_rg	33.21 Å
total_rg	33.43 Å
total_atoms	4862
n_residues	594
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	109.2 Å
rg_real	33.42 Å
rg_real_error	0.88 Å
i0_real	1.3820e+08
i0_real_error	2.2320e+06
rg_reciprocal	33.27 Å
i0_reciprocal	138100000.0000
total_estimate	0.8307
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.6 Å
skewness	0.485
kurtosis	-0.499
angular_range	— – 0.2400 Å⁻¹
current_alpha	0.0000
highest_alpha	10090000.0000
n_real_points	49
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.792; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.756; Smooth: 0.662

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (3)

Entity 1 polymer

description	APH(2'')-Id
formula_weight	37596.8 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,A
atom_count	4901

MGSSHHHHHHSSGLVPRGSHMRTYTFDQVEKAIEQLYPDFTINTIEISGEGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKDIPTVLEKYRMKEKYWSFEKIIYGKEYGYMDWYEEGLNEIRSIKIK

Source

organism	Enterococcus casseliflavus
ncbi_taxonomy_id	37734
host_organism	Escherichia coli

Entity 2 non-polymer

description	5-chloranyl-4-(1~{H}-pyrazol-5-yl)pyridin-2-amine
formula_weight	194.6 kDa
src_method	syn
entity_count	2

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	25

▶

6. Citations (1)

▶

length_a	78.100 Å
length_b	65.108 Å
length_c	73.979 Å
angle_alpha	90.00 °
angle_beta	90.86 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.440 Å
resolution_low	73.970 Å
r_factor	0.2101
r_work	0.2069
r_free	0.2790

fit	/app/data/saxs_computation/qo/9qor/9qor.fit
pddf	/app/data/pr_computation/qo/9qor/9qor.pr.out
profile	/app/data/saxs_computation/qo/9qor/9qor.dat

;APH(2'')-IVa with an inhibitor ;

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