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1bcr

;COMPLEX OF THE WHEAT SERINE CARBOXYPEPTIDASE, CPDW-II, WITH THE MICROBIAL PEPTIDE ALDEHYDE INHIBITOR, ANTIPAIN, AND ARGININE AT ROOM TEMPERATURE ;

Method: X-RAY DIFFRACTION D_max: 66.7 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bcr
deposition_date	1995-11-03
title	;COMPLEX OF THE WHEAT SERINE CARBOXYPEPTIDASE, CPDW-II, WITH THE MICROBIAL PEPTIDE ALDEHYDE INHIBITOR, ANTIPAIN, AND ARGININE AT ROOM TEMPERATURE ;
keywords	MICROBIAL PEPTIDE ALDEHYDE INHIBITOR, SERINE PROTEASE-INHIBITOR COMPLEX, HYDROLASE-HYDROLASE INHIBITOR COMPLEX; HYDROLASE/HYDROLASE INHIBITOR
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	21.71 Å
rg_electron	20.49 Å
i0	36597800.00
molecular_weight	46603.0 kDa
excluded_volume	58067 Å³
envelope_volume	65297 Å³
shell_volume	25707 Å³
envelope_diameter	68.1 Å
shell_rg	28.02 Å
envelope_rg	20.65 Å
shape_rg	20.47 Å
total_rg	21.43 Å
total_atoms	3297
n_residues	407
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	66.7 Å
rg_real	21.54 Å
rg_real_error	0.28 Å
i0_real	3.6600e+07
i0_real_error	4.9800e+05
rg_reciprocal	21.57 Å
i0_reciprocal	36600000.0000
total_estimate	0.7155
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	28.9 Å
skewness	0.112
kurtosis	-0.433
angular_range	— – 0.3650 Å⁻¹
current_alpha	0.0000
highest_alpha	9403000.0000
n_real_points	68
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.903; Stabil: 1.000; Sysdev: 0.207; Positv: 1.000; Valcen: 0.985; Smooth: 0.985

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4. Crystallography & Experiment

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5. Entities & Polymer Info (8)

Entity 1 polymer

description	SERINE CARBOXYPEPTIDASE II
formula_weight	29180.3 kDa
ec_number	3.4.16.6
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3489

VEPSGHAADRIARLPGQPAVDFDMYSGYITVDEGAGRSLFYLLQEAPEDAQPAPLVLWLNGGPGCSSVAYGASEELGAFRVKPRGAGLVLNEYRWNKVANVLFLDSPAGVGFSYTNTSSDIYTSGDNRTAHDSYAFLAKWFERFPHYKYRDFYIAGESYAGHYVPELSQLVHRSKNPVINLKGFMVGNGLIDDYHDYVGTFEFWWNHGIVSDDTYRRLKEACLHDSFIHPSPACDAATDVATAEQGNIDMYSLYTPVCNITSS

Entity 2 polymer

description	SERINE CARBOXYPEPTIDASE II
formula_weight	17995.2 kDa
ec_number	3.4.16.6
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

TGSYDPCTERYSTAYYNRRDVQMALHANVTGAMNYTWATCSDTINTHWHDAPRSMLPIYRELIAAGLRIWVFSGDTDAVVPLTATRYSIGALGLPTTTSWYPWYDDQEVGGWSQVYKGLTLVSVRGAGHEVPLHRPRQALVLFQYFLQGKPMPGQTKNAT

Entity 3 polymer

description	ANTIPAIN
formula_weight	607.7 kDa
src_method	syn
entity_count	1

Polymer

type	polypeptide(L)
strand_id	C

FRVR

Entity 4 branched

description	alpha-L-fucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	570.5 kDa
src_method	man
entity_count	1

Entity 5 branched

description	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	424.4 kDa
src_method	man
entity_count	1

Entity 6 non-polymer

description	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	man
entity_count	1

Entity 7 non-polymer

description	ARGININE
formula_weight	175.2 kDa
src_method	syn
entity_count	1

Entity 8 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	192

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6. Citations (3)

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length_a	98.400 Å
length_b	98.400 Å
length_c	209.500 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	2.500 Å
resolution_low	21.000 Å
r_factor	0.1620
r_work	—
r_free	—

fit	/app/data/saxs_computation/bc/1bcr/1bcr.fit
pddf	/app/data/pr_computation/bc/1bcr/1bcr.pr.out
profile	/app/data/saxs_computation/bc/1bcr/1bcr.dat

;COMPLEX OF THE WHEAT SERINE CARBOXYPEPTIDASE, CPDW-II, WITH THE MICROBIAL PEPTIDE ALDEHYDE INHIBITOR, ANTIPAIN, AND ARGININE AT ROOM TEMPERATURE ;

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 (8)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 polymer

Polymer

Entity 4 branched

Entity 5 branched

Entity 6 non-polymer

Entity 7 non-polymer

Entity 8 water

6. Citations (3)

7. Files & Curves (10)

Files (7)

Curves (3)