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9qa1

Drosophila melanogaster angiotensin converting enzyme homologue, AnCE in complex with VW dipeptide

Method: X-RAY DIFFRACTION D_max: 82.7 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9qa1
deposition_date	2025-02-27
last_revision	2025-05-14
title	Drosophila melanogaster angiotensin converting enzyme homologue, AnCE in complex with VW dipeptide
keywords	metalloprotease, dipeptides, hypertension, 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	25.51 Å
rg_electron	24.34 Å
i0	80569200.00
molecular_weight	70994.0 kDa
excluded_volume	88877 Å³
envelope_volume	104070 Å³
shell_volume	34339 Å³
envelope_diameter	84.9 Å
shell_rg	32.84 Å
envelope_rg	24.65 Å
shape_rg	24.29 Å
total_rg	25.37 Å
total_atoms	5010
n_residues	600
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	82.7 Å
rg_real	25.38 Å
rg_real_error	0.47 Å
i0_real	8.0570e+07
i0_real_error	1.1110e+06
rg_reciprocal	25.42 Å
i0_reciprocal	80570000.0000
total_estimate	0.7241
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	32.0 Å
skewness	0.224
kurtosis	-0.286
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	19400000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.829; Stabil: 1.000; Sysdev: 0.315; Positv: 1.000; Valcen: 0.988; Smooth: 0.990

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	Angiotensin-converting enzyme
formula_weight	68980.4 kDa
ec_number	3.4.15.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5253

VKEEIQAKEYLENLNKELAKRTNVETEAAWAYGSNITDENEKKKNEISAELAKFMKEVASDTTKFQWRSYQSEDLKRQFKALTKLGYAALPEDDYAELLDTLSAMESNFAKVKVCDYKDSTKCDLALDPEIEEVISKSRDHEELAYYWREFYDKAGTAVRSQFERYVELNTKAAKLNNFTSGAEAWLDEYEDDTFEQQLEDIFADIRPLYQQIHGYVRFRLRKHYGDAVVSETGPIPMHLLGNMWAQQWSEIADIVSPFPEKPLVDVSAEMEKQGYTPLKMFQMGDDFFTSMNLTKLPQDFWDKSIIEKPTDGRDLVCHASAWDFYLIDDVRIKQCTRVTQDQLFTVHHELGHIQYFLQYQHQPFVYRTGANPGFHEAVGDVLSLSVSTPKHLEKIGLLKDYVRDDEARINQLFLTALDKIVFLPFAFTMDKYRWSLFRGEVDKANWNCAFWKLRDEYSGIEPPVVRSEKDFDAPAKYHISADVEYLRYLVSFIIQFQFYKSACIKAGQYDPDNVELPLDNCDIYGSAAAGAAFHNMLSMGASKPWPDALEAFNGERIMSGKAIAEYFEPLRVWLEAENIKNNVHIGWTTSNKCVS

Source

organism	Drosophila melanogaster
common_name	fruit fly
ncbi_taxonomy_id	7227
host_organism	Komagataella phaffii GS115

Entity 2 polymer

description	VAL-TRP dipeptide
formula_weight	303.4 kDa
src_method	syn
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,D

Entity 3 branched

description	;beta-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ;
formula_weight	1073.0 kDa
src_method	man
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	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	syn
entity_count	2

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	243

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6. Citations (1)

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length_a	172.529 Å
length_b	172.529 Å
length_c	103.745 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	18

space_group	H 3
int_tables_number	146
crystal_system	—

resolution	2.200 Å
resolution_low	43.170 Å
r_factor	—
r_work	0.1699
r_free	0.2115

fit	/app/data/saxs_computation/qa/9qa1/9qa1.fit
pddf	/app/data/pr_computation/qa/9qa1/9qa1.pr.out
profile	/app/data/saxs_computation/qa/9qa1/9qa1.dat

Drosophila melanogaster angiotensin converting enzyme homologue, AnCE in complex with VW dipeptide

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

Entity 3 branched

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)