← Back to search

1brc

RELOCATING A NEGATIVE CHARGE IN THE BINDING POCKET OF TRYPSIN

Method: X-RAY DIFFRACTION D_max: 61.5 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1brc
deposition_date	1992-12-17
title	RELOCATING A NEGATIVE CHARGE IN THE BINDING POCKET OF TRYPSIN
keywords	PROTEINASE, HYDROLASE-HYDROLASE INHIBITOR COMPLEX; HYDROLASE/HYDROLASE INHIBITOR
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	19.36 Å
rg_electron	18.47 Å
i0	16341900.00
molecular_weight	29371.0 kDa
excluded_volume	36190 Å³
envelope_volume	41533 Å³
shell_volume	18979 Å³
envelope_diameter	61.0 Å
shell_rg	24.67 Å
envelope_rg	18.74 Å
shape_rg	18.46 Å
total_rg	19.34 Å
total_atoms	2054
n_residues	279
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

▼

3. P(r) Analysis (GNOM)

dmax	61.5 Å
rg_real	19.28 Å
rg_real_error	0.24 Å
i0_real	1.6340e+07
i0_real_error	1.7830e+05
rg_reciprocal	19.29 Å
i0_reciprocal	16340000.0000
total_estimate	0.9003
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	24.3 Å
skewness	0.238
kurtosis	-0.362
angular_range	— – 0.4100 Å⁻¹
current_alpha	0.0001
highest_alpha	3990000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.900; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.998

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (3)

Entity 1 polymer

description	TRYPSIN
formula_weight	23814.8 kDa
ec_number	3.4.21.4
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	E
atom_count	2195

IVGGYTCQENSVPYQVSLNSGYHFCGGSLINDQWVVSAAHCYKSRIQVRLGEHNINVLEGNEQFVNAAKIIKHPNFDRKTLNNDIMLIKLSSPVKLNARVATVALPSSCAPAGTQCLISGWGNTLSSGVNEPDLLQCLDAPLLPQADCEASYPGKITDNMVCVGFLEGGKGSCQGDSGGPVVCNGELQGIVSWGYGCALPDNPDVYTKVCNYVDWIQDTIAAN

Source

organism	Rattus norvegicus
common_name	Norway rat
ncbi_taxonomy_id	10116
host_organism	unidentified

Entity 2 polymer

description	AMYLOID BETA-PROTEIN PRECURSOR INHIBITOR DOMAIN (APPI)
formula_weight	6262.0 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	I

VREVCSEQAETGPCRAMISRWYFDVTEGKCAPFFYGGCGGNRNNFDTEEYCMAVCG

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	141

▶

6. Citations (3)

▶

length_a	93.100 Å
length_b	93.100 Å
length_c	62.500 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 32 2 1
int_tables_number	154
crystal_system	—

resolution	2.500 Å
resolution_low	— Å
r_factor	0.1680
r_work	0.1680
r_free	—

fit	/app/data/saxs_computation/br/1brc/1brc.fit
pddf	/app/data/pr_computation/br/1brc/1brc.pr.out
profile	/app/data/saxs_computation/br/1brc/1brc.dat

RELOCATING A NEGATIVE CHARGE IN THE BINDING POCKET OF TRYPSIN

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Entity 3 water

6. Citations (3)

7. Files & Curves (10)

Files (7)

Curves (3)