SAXSdb — 1ca0

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1. Structure Basics

entry_id	1ca0
deposition_date	1997-01-23
title	BOVINE CHYMOTRYPSIN COMPLEXED TO APPI
keywords	;SERINE PROTEASE, INHIBITOR, PROTEASE-SUBSTRATE INTERACTIONS, COMPLEX (SERINE PROTEASE-INHIBITOR), COMPLEX (SERINE PROTEASE-INHIBITOR) complex ;; COMPLEX (SERINE PROTEASE/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	30.49 Å
rg_electron	30.11 Å
i0	65707300.00
molecular_weight	62114.0 kDa
excluded_volume	76924 Å³
envelope_volume	96087 Å³
shell_volume	27357 Å³
envelope_diameter	107.7 Å
shell_rg	35.87 Å
envelope_rg	30.15 Å
shape_rg	30.09 Å
total_rg	30.71 Å
total_atoms	4344
n_residues	586
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	101.3 Å
rg_real	30.70 Å
rg_real_error	0.94 Å
i0_real	6.5710e+07
i0_real_error	1.1220e+06
rg_reciprocal	30.61 Å
i0_reciprocal	65700000.0000
total_estimate	0.8394
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.3 Å
skewness	0.431
kurtosis	-0.504
angular_range	— – 0.2600 Å⁻¹
current_alpha	0.0000
highest_alpha	12050000.0000
n_real_points	53
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.803; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.748; Smooth: 0.751

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	BOVINE CHYMOTRYPSIN
formula_weight	1253.5 kDa
ec_number	3.4.21.1
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,F
atom_count	4606

CGVPAIQPVLSGL

Entity 2 polymer

description	BOVINE CHYMOTRYPSIN
formula_weight	13934.6 kDa
ec_number	3.4.21.1
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,G

IVNGEEAVPGSWPWQVSLQDKTGFHFCGGSLINENWVVTAAHCGVTTSDVVVAGEFDQGSSSEKIQKLKIAKVFKNSKYNSLTINNDITLLKLSTAASFSQTVSAVCLPSASDDFAAGTTCVTTGWGLTRY

Source

organism	Bos taurus
common_name	cattle
ncbi_taxonomy_id	9913
host_organism	Escherichia coli

Entity 3 polymer

description	BOVINE CHYMOTRYPSIN
formula_weight	10074.5 kDa
ec_number	3.4.21.1
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	C,H

ANTPDRLQQASLPLLSNTNCKKYWGTKIKDAMICAGASGVSSCMGDSGGPLVCKKNGAWTLVGIVSWGSSTCSTSTPGVYARVTALVNWVQQTLAAN

Source

organism	Bos taurus
common_name	cattle
ncbi_taxonomy_id	9913
host_organism	Escherichia coli

Entity 4 polymer

description	;PROTEASE INHIBITOR DOMAIN OF ALZHEIMER'S AMYLOID BETA-PROTEIN PRECURSOR ;
formula_weight	6005.7 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	D,I

EVCSEQAETGPCRAMISRWYFDVTEGKCAPFFYGGCGGNRNNFDTEEYCMAVCG

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	262

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6. Citations (2)

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length_a	70.522 Å
length_b	181.488 Å
length_c	46.328 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	2.100 Å
resolution_low	8.000 Å
r_factor	0.2150
r_work	0.2150
r_free	0.3230

fit	/app/data/saxs_computation/ca/1ca0/1ca0.fit
pddf	/app/data/pr_computation/ca/1ca0/1ca0.pr.out
profile	/app/data/saxs_computation/ca/1ca0/1ca0.dat

BOVINE CHYMOTRYPSIN COMPLEXED TO APPI

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 (5)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Source

Entity 3 polymer

Polymer

Source

Entity 4 polymer

Polymer

Source

Entity 5 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)