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1bcs

;COMPLEX OF THE WHEAT SERINE CARBOXYPEPTIDASE, CPDW-II, WITH THE MICROBIAL PEPTIDE ALDEHYDE INHIBITOR, CHYMOSTATIN, AND ARGININE AT 100 DEGREES KELVIN ;

Method: X-RAY DIFFRACTION D_max: 65.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bcs
deposition_date	1995-11-03
title	;COMPLEX OF THE WHEAT SERINE CARBOXYPEPTIDASE, CPDW-II, WITH THE MICROBIAL PEPTIDE ALDEHYDE INHIBITOR, CHYMOSTATIN, AND ARGININE AT 100 DEGREES KELVIN ;
keywords	MICROBIAL PEPTIDE ALDEHYDE INHIBITOR, COMPLEX (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	21.49 Å
rg_electron	20.31 Å
i0	37313400.00
molecular_weight	47303.0 kDa
excluded_volume	58972 Å³
envelope_volume	64327 Å³
shell_volume	25493 Å³
envelope_diameter	66.9 Å
shell_rg	27.84 Å
envelope_rg	20.51 Å
shape_rg	20.28 Å
total_rg	21.24 Å
total_atoms	3347
n_residues	410
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	65.6 Å
rg_real	21.32 Å
rg_real_error	0.24 Å
i0_real	3.7310e+07
i0_real_error	4.3790e+05
rg_reciprocal	21.36 Å
i0_reciprocal	37310000.0000
total_estimate	0.8991
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.0 Å
skewness	0.107
kurtosis	-0.442
angular_range	— – 0.3700 Å⁻¹
current_alpha	0.0000
highest_alpha	9126000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.909; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.980; Smooth: 0.978

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4. Crystallography & Experiment

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5. Entities & Polymer Info (10)

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	3731

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	CHYMOSTATIN A
formula_weight	607.7 kDa
src_method	syn
entity_count	1

Polymer

type	polypeptide(L)
strand_id	C

FXLF

Entity 4 branched

description	alpha-L-fucopyranose-(1-3)-[2-acetamido-2-deoxy-alpha-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	ARGININE
formula_weight	175.2 kDa
src_method	syn
entity_count	1

Entity 7 non-polymer

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

Entity 8 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	1

Entity 9 non-polymer

description	ACETATE ION
formula_weight	59.0 kDa
src_method	syn
entity_count	1

Entity 10 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	384

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6. Citations (3)

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length_a	95.400 Å
length_b	95.400 Å
length_c	208.300 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	2.080 Å
resolution_low	33.000 Å
r_factor	0.1740
r_work	—
r_free	—

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

;COMPLEX OF THE WHEAT SERINE CARBOXYPEPTIDASE, CPDW-II, WITH THE MICROBIAL PEPTIDE ALDEHYDE INHIBITOR, CHYMOSTATIN, AND ARGININE AT 100 DEGREES KELVIN ;

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 (10)

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 non-polymer

Entity 9 non-polymer

Entity 10 water

6. Citations (3)

7. Files & Curves (10)

Files (7)

Curves (3)