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1cp6

1-BUTANEBORONIC ACID BINDING TO AEROMONAS PROTEOLYTICA AMINOPEPTIDASE

Method: X-RAY DIFFRACTION D_max: 56.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cp6
deposition_date	1999-06-08
title	1-BUTANEBORONIC ACID BINDING TO AEROMONAS PROTEOLYTICA AMINOPEPTIDASE
keywords	HYDROLASE, AMINOPEPTIDASE; 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	18.38 Å
rg_electron	17.21 Å
i0	18544100.00
molecular_weight	31607.0 kDa
excluded_volume	38878 Å³
envelope_volume	41749 Å³
shell_volume	19661 Å³
envelope_diameter	57.2 Å
shell_rg	24.11 Å
envelope_rg	17.39 Å
shape_rg	17.22 Å
total_rg	18.08 Å
total_atoms	2219
n_residues	291
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	56.1 Å
rg_real	18.23 Å
rg_real_error	0.26 Å
i0_real	1.8540e+07
i0_real_error	2.0150e+05
rg_reciprocal	18.26 Å
i0_reciprocal	18540000.0000
total_estimate	0.8983
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.3 Å
skewness	0.067
kurtosis	-0.459
angular_range	— – 0.4350 Å⁻¹
current_alpha	0.0000
highest_alpha	5124000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.901; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.974; Smooth: 0.997

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (AMINOPEPTIDASE)
formula_weight	31427.3 kDa
ec_number	3.4.11.10
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2355

MPPITQQATVTAWLPQVDASQITGTISSLESFTNRFYTTTSGAQASDWIASEWQALSASLPNASVKQVSHSGYNQKSVVMTITGSEAPDEWIVIGGHLDSTIGSHTNEQSVAPGADDDASGIAAVTEVIRVLSENNFQPKRSIAFMAYAAEEVGLRGSQDLANQYKSEGKNVVSALQLDMTNYKGSAQDVVFITDYTDSNFTQYLTQLMDEYLPSLTYGFDTCGYACSDHASWHNAGYPAAMPFESKFNDYNPRIHTTQDTLANSDPTGSHAKKFTQLGLAYAIEMGSATG

Entity 2 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	1-BUTANE BORONIC ACID
formula_weight	101.9 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	136

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6. Citations (2)

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length_a	109.200 Å
length_b	109.200 Å
length_c	97.700 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 61 2 2
int_tables_number	178
crystal_system	—

resolution	1.900 Å
resolution_low	10.000 Å
r_factor	0.1930
r_work	0.1930
r_free	0.2290

fit	/app/data/saxs_computation/cp/1cp6/1cp6.fit
pddf	/app/data/pr_computation/cp/1cp6/1cp6.pr.out
profile	/app/data/saxs_computation/cp/1cp6/1cp6.dat

1-BUTANEBORONIC ACID BINDING TO AEROMONAS PROTEOLYTICA AMINOPEPTIDASE

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