SAXSdb — 9r19

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1. Structure Basics

entry_id	9r19
deposition_date	2025-04-25
title	Crystal structure of human ACE2 in complex with VHH B07 and VHH B10
keywords	HUMAN ACE2, VHH, STRUCTURAL PROTEIN, 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	46.91 Å
rg_electron	46.85 Å
i0	1237950000.00
molecular_weight	288170.0 kDa
excluded_volume	358410 Å³
envelope_volume	491650 Å³
shell_volume	87027 Å³
envelope_diameter	174.0 Å
shell_rg	51.75 Å
envelope_rg	45.77 Å
shape_rg	46.86 Å
total_rg	47.02 Å
total_atoms	20304
n_residues	2510
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	158.8 Å
rg_real	46.90 Å
rg_real_error	1.28 Å
i0_real	1.2380e+09
i0_real_error	2.2120e+07
rg_reciprocal	46.91 Å
i0_reciprocal	1238000000.0000
total_estimate	0.8745
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	56.0 Å
skewness	0.356
kurtosis	-0.313
angular_range	— – 0.1700 Å⁻¹
current_alpha	0.0002
highest_alpha	234100000.0000
n_real_points	35
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.834; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.868

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	Processed angiotensin-converting enzyme 2
formula_weight	69821.5 kDa
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,B,C
atom_count	20408

STIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQNMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTILNTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLYEEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHLHAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQAWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILMCTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKSIGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEMKREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLHKCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNKNSFVGWSTDWSPYADGSGLVPR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Homo sapiens

Entity 2 polymer

description	VHH B10
formula_weight	16719.4 kDa
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	D,E,F

MAQVQLVESGGGLVQAGDSLRLSCAASGRTFSSYAMGWFRQALGKEREFVAVISGSGTSTYYTDSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCARAKGFSTIYNQDEGRYDYWGQGTQVTVSSAAAEQKLISEEDLNGAAHHHHHHGS

Source

organism	Vicugna pacos
ncbi_taxonomy_id	30538
host_organism	Escherichia coli

Entity 3 polymer

description	VHH B07
formula_weight	15464.9 kDa
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	G,H,I

MAEVQLQASGGGLVQAGGSLRLSCAASRSTFSTNTIGWYRQAPGKQRELVASISTSGNTYYPDSVKGRFAISRDNAENTVYLQMNSLKPEDTAVYYCNTPSRRISNFWGQGTQVTVSSAAAEQKLISEEDLNGAAHHHHHHGS

Source

organism	Vicugna pacos
ncbi_taxonomy_id	30538
host_organism	Escherichia coli

Entity 4 non-polymer

description	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	syn
entity_count	13

Entity 5 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	4

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	104

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6. Citations (1)

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length_a	97.920 Å
length_b	108.150 Å
length_c	146.100 Å
angle_alpha	90.00 °
angle_beta	98.89 °
angle_gamma	90.00 °
z_pdb	6

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.690 Å
resolution_low	48.300 Å
r_factor	0.2214
r_work	0.2197
r_free	0.2547

fit	/app/data/saxs_computation/r1/9r19/9r19.fit
pddf	/app/data/pr_computation/r1/9r19/9r19.pr.out
profile	/app/data/saxs_computation/r1/9r19/9r19.dat

Crystal structure of human ACE2 in complex with VHH B07 and VHH B10

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 (6)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 polymer

Polymer

Source

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)