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1bpt

CREVICE-FORMING MUTANTS OF BPTI: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A

Method: X-RAY DIFFRACTION D_max: 40.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bpt
deposition_date	1991-12-11
title	CREVICE-FORMING MUTANTS OF BPTI: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A
keywords	PROTEINASE INHIBITOR (TRYPSIN); PROTEINASE INHIBITOR (TRYPSIN)
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	12.03 Å
rg_electron	10.91 Å
i0	1088540.00
molecular_weight	6381.0 kDa
excluded_volume	7779 Å³
envelope_volume	8784 Å³
shell_volume	7284 Å³
envelope_diameter	37.4 Å
shell_rg	15.90 Å
envelope_rg	11.36 Å
shape_rg	10.82 Å
total_rg	12.44 Å
total_atoms	442
n_residues	56
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	40.9 Å
rg_real	12.02 Å
rg_real_error	0.42 Å
i0_real	1.0890e+06
i0_real_error	1.2230e+04
rg_reciprocal	12.02 Å
i0_reciprocal	1089000.0000
total_estimate	0.8774
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	13.5 Å
skewness	0.334
kurtosis	-0.307
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	266700.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.829; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.946; Smooth: 0.977

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (9)

Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A.

Protein Sci. (1993)

PMID: 8518731 PRIMARY

Crystal Structure of a Y35G Mutant of Bovine Pancreatic Trypsin Inhibitor

J.Mol.Biol. (1991)

;Structural Effects Induced by Removal of a Disulfide-Bridge. The X-Ray Structure of the C30A(Slash)C51A Mutant of Basic Pancreatic Trypsin Inhibitor at 1.6 Angstroms ;

Protein Eng. (1990)

;X-Ray Crystal Structure of the Protease Inhibitor Domain of Alzheimer'S Amyloid Beta-Protein Precursor ;

Biochemistry (1990)

Structure of Form III Crystals of Bovine Pancreatic Trypsin Inhibitor.

J.Mol.Biol. (1987)

Comparison of Two Highly Refined Structures of Bovine Pancreatic Trypsin Inhibitor

J.Mol.Biol. (1987)

Structure of Bovine Pancreatic Trypsin Inhibitor. Results of Joint Neutron and X-Ray Refinement of Crystal Form II

J.Mol.Biol. (1984)

Pancreatic Trypsin Inhibitor. A New Crystal Form and its Analysis

J.Mol.Biol. (1983)

Crevice-Forming Mutants of Bpti: Stability Changes and New Hydrophobic Surface

To be Published

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length_a	69.469 Å
length_b	23.346 Å
length_c	29.188 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.000 Å
resolution_low	— Å
r_factor	—
r_work	0.1650
r_free	—

description	BOVINE PANCREATIC TRYPSIN INHIBITOR
formula_weight	6435.5 kDa
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	482

CREVICE-FORMING MUTANTS OF BPTI: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A

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 non-polymer

Entity 3 water

6. Citations (9)

7. Files & Curves (10)

Files (7)

Curves (3)

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	1

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	40

fit	/app/data/saxs_computation/bp/1bpt/1bpt.fit
pddf	/app/data/pr_computation/bp/1bpt/1bpt.pr.out
profile	/app/data/saxs_computation/bp/1bpt/1bpt.dat

organism	Bos taurus
common_name	cattle
ncbi_taxonomy_id	9913