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11bg

A POTENTIAL ALLOSTERIC SUBSITE GENERATED BY DOMAIN SWAPPING IN BOVINE SEMINAL RIBONUCLEASE

Method: X-RAY DIFFRACTION D_max: 75.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	11bg
deposition_date	1999-03-11
title	A POTENTIAL ALLOSTERIC SUBSITE GENERATED BY DOMAIN SWAPPING IN BOVINE SEMINAL RIBONUCLEASE
keywords	HYDROLASE, PHOSPHORIC DIESTER, RNA; 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	20.90 Å
rg_electron	20.93 Å
i0	20469900.00
molecular_weight	29734.0 kDa
excluded_volume	35317 Å³
envelope_volume	43078 Å³
shell_volume	18272 Å³
envelope_diameter	73.8 Å
shell_rg	26.45 Å
envelope_rg	21.21 Å
shape_rg	20.94 Å
total_rg	21.60 Å
total_atoms	2039
n_residues	248
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	75.0 Å
rg_real	21.06 Å
rg_real_error	0.63 Å
i0_real	2.0470e+07
i0_real_error	2.7020e+05
rg_reciprocal	21.03 Å
i0_reciprocal	20470000.0000
total_estimate	0.8207
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	20.6 Å
skewness	0.592
kurtosis	0.000
angular_range	— – 0.3800 Å⁻¹
current_alpha	0.0000
highest_alpha	6616000.0000
n_real_points	70
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.643; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.785; Smooth: 0.952

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (BOVINE SEMINAL RIBONUCLEASE)
formula_weight	13632.6 kDa
ec_number	3.1.27.5
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	2163

KESAAAKFERQHMDSGNSPSSSSNYCNLMMCCRKMTQGKCKPVNTFVHESLADVKAVCSQKKVTCKNGQTNCYQSKSTMRITDCRETGSSKYPNCAYKTTQVEKHIIVACGGKPSVPVHFDASV

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	8

Entity 3 non-polymer

description	URIDYLYL-2'-5'-PHOSPHO-GUANOSINE
formula_weight	589.4 kDa
src_method	syn
entity_count	4

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	124

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6. Citations (6)

A potential allosteric subsite generated by domain swapping in bovine seminal ribonuclease.

J.Mol.Biol. (1999)

PMID: 10543951 · DOI: 10.1006/jmbi.1999.3158 PRIMARY

Crystallization of Multiple Forms of Bovine Seminal Ribonuclease in the Liganded and Unliganded State

J.Cryst.Growth (1999)

DOI: 10.1016/S0022-0248(98)00860-4

;Binding of a substrate analog to a domain swapping protein: X-ray structure of the complex of bovine seminal ribonuclease with uridylyl(2',5')adenosine. ;

Protein Sci. (1998)

PMID: 10082366 · DOI: 10.1002/pro.5560070804

Cosolute Effect on Crystallization of Two Dinucleotide Complexes of Bovine Seminal Ribonuclease from Concentrated Salt Solutions

J.Cryst.Growth (1997)

DOI: 10.1016/0022-0248(96)00354-5

Swapping structural determinants of ribonucleases: an energetic analysis of the hinge peptide 16-22.

Proc.Natl.Acad.Sci.USA (1995)

PMID: 7731986 · DOI: 10.1073/pnas.92.9.3799

Bovine seminal ribonuclease: structure at 1.9 A resolution.

Acta Crystallogr.,Sect.D (1993)

PMID: 15299514 · DOI: 10.1107/S0907444993003403

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length_a	36.400 Å
length_b	66.700 Å
length_c	107.700 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 2 21 21
int_tables_number	18
crystal_system	—

resolution	1.900 Å
resolution_low	12.000 Å
r_factor	—
r_work	0.1890
r_free	—

fit	/app/data/saxs_computation/1b/11bg/11bg.fit
pddf	/app/data/pr_computation/1b/11bg/11bg.pr.out
profile	/app/data/saxs_computation/1b/11bg/11bg.dat

A POTENTIAL ALLOSTERIC SUBSITE GENERATED BY DOMAIN SWAPPING IN BOVINE SEMINAL RIBONUCLEASE

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