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9rvt

ACE2 extracellular domain in complex with the macrocyclic peptide GR1.4

Method: X-RAY DIFFRACTION D_max: 152.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9rvt
deposition_date	2025-07-08
title	ACE2 extracellular domain in complex with the macrocyclic peptide GR1.4
keywords	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	47.68 Å
rg_electron	47.27 Å
i0	1140240000.00
molecular_weight	281480.0 kDa
excluded_volume	351610 Å³
envelope_volume	473230 Å³
shell_volume	81997 Å³
envelope_diameter	155.6 Å
shell_rg	52.75 Å
envelope_rg	46.22 Å
shape_rg	47.26 Å
total_rg	47.49 Å
total_atoms	19848
n_residues	2438
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	152.4 Å
rg_real	47.50 Å
rg_real_error	1.10 Å
i0_real	1.1400e+09
i0_real_error	2.0980e+07
rg_reciprocal	47.68 Å
i0_reciprocal	1140000000.0000
total_estimate	0.8939
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	64.7 Å
skewness	0.144
kurtosis	-0.637
angular_range	— – 0.1650 Å⁻¹
current_alpha	0.0000
highest_alpha	303700000.0000
n_real_points	34
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.931; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.827

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	Processed angiotensin-converting enzyme 2
formula_weight	70587.2 kDa
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,D,G
atom_count	20476

GSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADSSPHHHHHHHH

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

Entity 2 polymer

description	macrocyclic peptide GR1.4
formula_weight	1486.7 kDa
src_method	syn
entity_count	4

Polymer

type	polypeptide(L)
strand_id	C,E,F,H

ACEPLGYNLFLCSG

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	599

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6. Citations (1)

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length_a	114.234 Å
length_b	77.448 Å
length_c	153.688 Å
angle_alpha	90.00 °
angle_beta	101.22 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.390 Å
resolution_low	69.070 Å
r_factor	0.2496
r_work	0.2486
r_free	0.2984

fit	/app/data/saxs_computation/rv/9rvt/9rvt.fit
pddf	/app/data/pr_computation/rv/9rvt/9rvt.pr.out
profile	/app/data/saxs_computation/rv/9rvt/9rvt.dat

ACE2 extracellular domain in complex with the macrocyclic peptide GR1.4

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 (3)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Entity 3 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)