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9ss7

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

Method: X-RAY DIFFRACTION D_max: 79.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9ss7
deposition_date	2025-09-25
title	Human angiotensin 1-converting enzyme C-domain in complex with rentiapril
keywords	inhibitor, complex, metalloprotease, HYDROLASE; HYDROLASE
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	24.75 Å
rg_electron	23.72 Å
i0	146275000.00
molecular_weight	64444.0 kDa
excluded_volume	62538 Å³
envelope_volume	100520 Å³
shell_volume	33733 Å³
envelope_diameter	82.6 Å
shell_rg	32.42 Å
envelope_rg	24.00 Å
shape_rg	23.73 Å
total_rg	24.39 Å
total_atoms	4873
n_residues	580
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	79.7 Å
rg_real	24.58 Å
rg_real_error	0.35 Å
i0_real	1.4630e+08
i0_real_error	1.6400e+06
rg_reciprocal	24.62 Å
i0_reciprocal	146300000.0000
total_estimate	0.8853
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	31.6 Å
skewness	0.204
kurtosis	-0.343
angular_range	— – 0.3200 Å⁻¹
current_alpha	0.0000
highest_alpha	27000000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.838; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.993

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4. Crystallography & Experiment

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5. Entities & Polymer Info (11)

Entity 1 polymer

description	Angiotensin-converting enzyme, soluble form
formula_weight	67537.4 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5062

EAEASKFVEEYDRTSQVVWNEYAGANWNYNTNITTETSKILLQKNMQIAQHTLKYGTQARKFDVNQLQNTTIKRIIKKVQDLERAALPAQELEEYNKILLDMETTYSVATVCHPQGSCLQLEPDLTNVMATSRKYEDLLWAWEGWRDKAGRAILQFYPKYVELINQAARLNGYVDAGDSWRSMYETPSLEQDLERLFQELQPLYLNLHAYVRRALHRHYGAQHINLEGPIPAHLLGNMWAQTWSNIYDLVVPFPSAPSMDTTEAMLKQGWTPRRMFKEADDFFTSLGLLPVPPEFWQKSMLEKPTDGREVVCHASAWDFYNGKDFRIKQCTTVNLEDLVVAHHEMGHIQYFMQYKDLPVALREGANPGFHEAIGDVLALSVSTPKHLHSLNLLSSEGGSDEHDINFLMKMALDKIAFIPFSYLVDQWRWRVFDGSITKENYNQEWWSLRLKYQGLCPPVPRTQGDFDPGAKFHIPSSVPYIRYFVSFIIQFQFHEALCQAAGHTGPLHKCDIYQSKEAGQRLATAMKLGFSRPWPEAMQLITGQPQMSASAMLSYFKPLLDWLRTENELHGEKLGWPQYNWTPN

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Cricetulus griseus

Entity 2 branched

description	;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	732.7 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	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	Rentiapril
formula_weight	313.4 kDa
src_method	syn
entity_count	2

Entity 6 non-polymer

description	MALONATE ION
formula_weight	102.0 kDa
src_method	syn
entity_count	2

Entity 7 non-polymer

description	BORIC ACID
formula_weight	61.8 kDa
src_method	syn
entity_count	1

Entity 8 non-polymer

description	IMIDAZOLE
formula_weight	69.1 kDa
src_method	syn
entity_count	1

Entity 9 non-polymer

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

Entity 10 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	2

Entity 11 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	177

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6. Citations (1)

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length_a	56.726 Å
length_b	84.945 Å
length_c	134.747 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	1.950 Å
resolution_low	71.860 Å
r_factor	—
r_work	0.1864
r_free	0.2229

fit	/app/data/saxs_computation/ss/9ss7/9ss7.fit
pddf	/app/data/pr_computation/ss/9ss7/9ss7.pr.out
profile	/app/data/saxs_computation/ss/9ss7/9ss7.dat