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1d6r

;CRYSTAL STRUCTURE OF CANCER CHEMOPREVENTIVE BOWMAN-BIRK INHIBITOR IN TERNARY COMPLEX WITH BOVINE TRYPSIN AT 2.3 A RESOLUTION. STRUCTURAL BASIS OF JANUS-FACED SERINE PROTEASE INHIBITOR SPECIFICITY ;

Method: X-RAY DIFFRACTION D_max: 70.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1d6r
deposition_date	1999-10-15
title	;CRYSTAL STRUCTURE OF CANCER CHEMOPREVENTIVE BOWMAN-BIRK INHIBITOR IN TERNARY COMPLEX WITH BOVINE TRYPSIN AT 2.3 A RESOLUTION. STRUCTURAL BASIS OF JANUS-FACED SERINE PROTEASE INHIBITOR SPECIFICITY ;
keywords	PROTEASE INHIBITOR, SERINE PROTEASE, BOWMAN-BIRK INHIBITOR, HYDROLASE; 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	19.65 Å
rg_electron	18.87 Å
i0	17161300.00
molecular_weight	29620.0 kDa
excluded_volume	36343 Å³
envelope_volume	41980 Å³
shell_volume	18936 Å³
envelope_diameter	70.9 Å
shell_rg	25.20 Å
envelope_rg	19.38 Å
shape_rg	18.84 Å
total_rg	19.80 Å
total_atoms	2056
n_residues	281
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	70.9 Å
rg_real	19.65 Å
rg_real_error	0.52 Å
i0_real	1.7160e+07
i0_real_error	2.1430e+05
rg_reciprocal	19.65 Å
i0_reciprocal	17160000.0000
total_estimate	0.7613
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.0 Å
skewness	0.420
kurtosis	-0.031
angular_range	— – 0.4050 Å⁻¹
current_alpha	0.0000
highest_alpha	4028000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.661; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.908; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	TRYPSINOGEN
formula_weight	23324.3 kDa
ec_number	3.4.21.4
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2172

IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN

Entity 2 polymer

description	BOWMAN-BIRK PROTEINASE INHIBITOR PRECURSOR
formula_weight	6431.5 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	I

KPCCDQCACTKSNPPQCRCSDMRLNSCHSACKSCICALSYPAQCFCVDITDFCYEPCK

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	116

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6. Citations (7)

;Crystal structure of cancer chemopreventive Bowman-Birk inhibitor in ternary complex with bovine trypsin at 2.3 A resolution. Structural basis of Janus-faced serine protease inhibitor specificity. ;

J.Mol.Biol. (2000)

PMID: 10772864 · DOI: 10.1006/jmbi.2000.3677 PRIMARY

;Mutational analysis of disulfide bonds in the trypsin-reactive subdomain of a Bowman-Birk-type inhibitor of trypsin and chymotrypsin. Cooperative versus autonomous refolding of subdomains. ;

Eur.J.Biochem. (1998)

DOI: 10.1046/j.1432-1327.1998.2510854.x

;Crystal structure of the bifunctional soybean Bowman-Birk inhibitor at 0.28-nm resolution-structural peculiarities in a folded protein conformation. ;

Eur.J.Biochem. (1996)

Proteolytic cleavage of soybean Bowman-Birk inhibitor monitored by means of high-performance capillary electrophoresis

J.Biochem.Biophys.Methods (1996)

DOI: 10.1016/S0165-022X(96)00024-3

Template-directed protein folding into a metastable state of increased activity

Eur.J.Biochem. (1995)

;A new and general procedure for refolding mutant Bowman-Birk-type proteinase inhibitors on trypsin-Sepharose as a matrix with complementary structure ;

FEBS Lett. (1989)

DOI: 10.1016/0014-5793(89)80909-3

Chemical synthesis, molecular cloning and expression of gene coding for a Bowman-Birk-type proteinase inhibitor

Eur.J.Biochem. (1987)

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length_a	55.600 Å
length_b	55.600 Å
length_c	183.400 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	2.300 Å
resolution_low	8.000 Å
r_factor	0.1520
r_work	0.1520
r_free	0.2260

fit	/app/data/saxs_computation/d6/1d6r/1d6r.fit
pddf	/app/data/pr_computation/d6/1d6r/1d6r.pr.out
profile	/app/data/saxs_computation/d6/1d6r/1d6r.dat

;CRYSTAL STRUCTURE OF CANCER CHEMOPREVENTIVE BOWMAN-BIRK INHIBITOR IN TERNARY COMPLEX WITH BOVINE TRYPSIN AT 2.3 A RESOLUTION. STRUCTURAL BASIS OF JANUS-FACED SERINE PROTEASE INHIBITOR SPECIFICITY ;

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 (3)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 water

6. Citations (7)

7. Files & Curves (10)

Files (7)

Curves (3)