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1bje

H64T VARIANT OF MYOGLOBIN (HORSE HEART) RECOMBINANT WILD-TYPE COMPLEXED WITH AZIDE

Method: X-RAY DIFFRACTION D_max: 53.0 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bje
deposition_date	1997-10-18
title	H64T VARIANT OF MYOGLOBIN (HORSE HEART) RECOMBINANT WILD-TYPE COMPLEXED WITH AZIDE
keywords	OXYGEN TRANSPORT; OXYGEN TRANSPORT
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	16.66 Å
rg_electron	15.17 Å
i0	5699530.00
molecular_weight	17670.0 kDa
excluded_volume	22291 Å³
envelope_volume	24797 Å³
shell_volume	13888 Å³
envelope_diameter	53.3 Å
shell_rg	20.99 Å
envelope_rg	15.40 Å
shape_rg	15.14 Å
total_rg	16.34 Å
total_atoms	1247
n_residues	153
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	53.0 Å
rg_real	16.54 Å
rg_real_error	0.31 Å
i0_real	5.7000e+06
i0_real_error	7.1040e+04
rg_reciprocal	16.56 Å
i0_reciprocal	5700000.0000
total_estimate	0.6615
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	47.5 Å
skewness	0.109
kurtosis	-0.454
angular_range	— – 0.4800 Å⁻¹
current_alpha	0.0000
highest_alpha	913000.0000
n_real_points	78
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.863; Stabil: 0.999; Sysdev: 0.338; Positv: 1.000; Valcen: 0.994; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	MYOGLOBIN
formula_weight	16946.5 kDa
mutation	H64T
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1293

GLSDGEWQQVLNVWGKVEADIAGHGQEVLIRLFTGHPETLEKFDKFKHLKTEAEMKASEDLKKTGTVVLTALGGILKKKGHHEAELKPLAQSHATKHKIPIKYLEFISDAIIHVLHSKHPGDFGADAQGAMTKALELFRNDIAAKYKELGFQG

Source

organism	Equus caballus
common_name	horse
ncbi_taxonomy_id	9796
host_organism	Escherichia coli

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	AZIDE ION
formula_weight	42.0 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	PROTOPORPHYRIN IX CONTAINING FE
formula_weight	616.5 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	46

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6. Citations (9)

Structural and spectroscopic studies of azide complexes of horse heart myoglobin and the His-64-->Thr variant.

Biochem.J. (1998)

PMID: 9576852 PRIMARY

A Myoglobin Variant with a Polar Substitution in a Conserved Hydrophobic Cluster in the Heme Binding Pocket

Biochim.Biophys.Acta (1997)

Structural Characterization of Heme Ligation in the His64-->Tyr Variant of Myoglobin

J.Biol.Chem. (1994)

Ftir Analysis of the Interaction of Azide with Horse Heart Myoglobin Variants

Biochemistry (1994)

Three-Dimensional Structure of Cyanomet-Sulfmyoglobin C

Proc.Natl.Acad.Sci.USA (1994)

Expression in Escherichia Coli of a Synthetic Gene Coding for Horse Heart Myoglobin

Protein Eng. (1991)

High-Resolution Study of the Three-Dimensional Structure of Horse Heart Metmyoglobin

J.Mol.Biol. (1990)

Horse Heart Metmyoglobin. A 2.8-A Resolution Three-Dimensional Structure Determination

J.Biol.Chem. (1988)

Crystallization and Preliminary Diffraction Data for Horse Heart Metmyoglobin

J.Mol.Biol. (1987)

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length_a	64.019 Å
length_b	28.812 Å
length_c	35.840 Å
angle_alpha	90.00 °
angle_beta	106.95 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.800 Å
resolution_low	6.000 Å
r_factor	—
r_work	0.1780
r_free	—

fit	/app/data/saxs_computation/bj/1bje/1bje.fit
pddf	/app/data/pr_computation/bj/1bje/1bje.pr.out
profile	/app/data/saxs_computation/bj/1bje/1bje.dat