← Back to search

9qan

Human angiotensin-1 converting enzyme C-domain in complex with ramiprilat

Method: X-RAY DIFFRACTION D_max: 79.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9qan
deposition_date	2025-02-28
title	Human angiotensin-1 converting enzyme C-domain in complex with ramiprilat
keywords	Inhibitor complex, ACE, ramiprilat, anti-hypertensive drug, HYDROLASE; HYDROLASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	25.00 Å
rg_electron	23.72 Å
i0	74988600.00
molecular_weight	68496.0 kDa
excluded_volume	85812 Å³
envelope_volume	99756 Å³
shell_volume	33574 Å³
envelope_diameter	82.4 Å
shell_rg	32.41 Å
envelope_rg	23.97 Å
shape_rg	23.69 Å
total_rg	24.71 Å
total_atoms	4826
n_residues	574
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	79.5 Å
rg_real	24.82 Å
rg_real_error	0.43 Å
i0_real	7.4990e+07
i0_real_error	1.0920e+06
rg_reciprocal	24.87 Å
i0_reciprocal	74990000.0000
total_estimate	0.8886
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	78.2 Å
skewness	0.198
kurtosis	-0.325
angular_range	— – 0.3150 Å⁻¹
current_alpha	0.0000
highest_alpha	20170000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.853; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.995

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (11)

Entity 1 polymer

description	Angiotensin-converting enzyme
formula_weight	68877.9 kDa
ec_number	3.2.1.-,3.4.15.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5521

LVTDEAEASKFVEEYDRTSQVVWNEYAGANWNYNTNITTETSKILLQKNMQIAQHTLKYGTQARKFDVNQLQNTTIKRIIKKVQDLERAALPAQELEEYNKILLDMETTYSVATVCHPQGSCLQLEPDLTNVMATSRKYEDLLWAWEGWRDKAGRAILQFYPKYVELINQAARLNGYVDAGDSWRSMYETPSLEQDLERLFQELQPLYLNLHAYVRRALHRHYGAQHINLEGPIPAHLLGNMWAQTWSNIYDLVVPFPSAPSMDTTEAMLKQGWTPRRMFKEADDFFTSLGLLPVPPEFWQKSMLEKPTDGREVVCHASAWDFYNGKDFRIKQCTTVNLEDLVVAHHEMGHIQYFMQYKDLPVALREGANPGFHEAIGDVLALSVSTPKHLHSLNLLSSEGGSDEHDINFLMKMALDKIAFIPFSYLVDQWRWRVFDGSITKENYNQEWWSLRLKYQGLCPPVPRTQGDFDPGAKFHIPSSVPYIRYFVSFIIQFQFHEALCQAAGHTGPLHKCDIYQSKEAGQRLATAMKLGFSRPWPEAMQLITGQPQMSASAMLSYFKPLLDWLRTENELHGEKLGWPQYNWTPNSARSEGPLP

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Cricetulus griseus

Entity 2 branched

description	;alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose ;
formula_weight	894.8 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

description	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	IMIDAZOLE
formula_weight	69.1 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	2

Entity 6 non-polymer

description	Ramiprilat
formula_weight	388.5 kDa
src_method	syn
entity_count	1

Entity 7 non-polymer

description	TRIETHYLENE GLYCOL
formula_weight	150.2 kDa
src_method	syn
entity_count	1

Entity 8 non-polymer

description	BORIC ACID
formula_weight	61.8 kDa
src_method	syn
entity_count	2

Entity 9 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	2

Entity 10 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

Entity 11 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	577

▶

6. Citations (1)

▶

length_a	56.742 Å
length_b	85.685 Å
length_c	134.509 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.500 Å
resolution_low	72.372 Å
r_factor	—
r_work	0.1654
r_free	0.1976

fit	/app/data/saxs_computation/qa/9qan/9qan.fit
pddf	/app/data/pr_computation/qa/9qan/9qan.pr.out
profile	/app/data/saxs_computation/qa/9qan/9qan.dat