NMR STRUCTURE OF THE FYN SH2 DOMAIN COMPLEXED WITH A PHOSPHOTYROSYL PEPTIDE, 22 STRUCTURES

Method: SOLUTION NMR D_max: 47.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1aou
deposition_date	1997-07-10
title	NMR STRUCTURE OF THE FYN SH2 DOMAIN COMPLEXED WITH A PHOSPHOTYROSYL PEPTIDE, 22 STRUCTURES
keywords	;SH2 DOMAIN, SIGNAL TRANSDUCTION, PEPTIDE COMPLEX, COMPLEX (PROTO-ONCOGENE-EARLY PROTEIN), COMPLEX (PROTO-ONCOGENE-EARLY PROTEIN) complex ;; COMPLEX (PROTO-ONCOGENE/EARLY PROTEIN)
method	SOLUTION NMR

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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	14.19 Å
rg_electron	13.83 Å
i0	1304530000.00
molecular_weight	302600.0 kDa
excluded_volume	376810 Å³
envelope_volume	33382 Å³
shell_volume	16825 Å³
envelope_diameter	53.4 Å
shell_rg	22.68 Å
envelope_rg	16.79 Å
shape_rg	13.79 Å
total_rg	14.08 Å
total_atoms	42196
n_residues	2552
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	47.0 Å
rg_real	14.09 Å
rg_real_error	0.34 Å
i0_real	1.3050e+09
i0_real_error	1.3970e+07
rg_reciprocal	14.10 Å
i0_reciprocal	1305000000.0000
total_estimate	0.8756
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	18.4 Å
skewness	0.146
kurtosis	-0.305
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	368200.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.800; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.988

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (2)

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length_a	1.000 Å
length_b	1.000 Å
length_c	1.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	1

space_group	P 1
int_tables_number	1
crystal_system	—

description	FYN PROTEIN-TYROSINE KINASE
formula_weight	12299.8 kDa
ec_number	2.7.1.112
mutation	C97S, C98S, C104S
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	F
atom_count	42196

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

NMR STRUCTURE OF THE FYN SH2 DOMAIN COMPLEXED WITH A PHOSPHOTYROSYL PEPTIDE, 22 STRUCTURES

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

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)

description	PHOSPHOTYROSYL PEPTIDE
formula_weight	1473.5 kDa
src_method	nat
entity_count	1

fit	/app/data/saxs_computation/ao/1aou/1aou.fit
pddf	/app/data/pr_computation/ao/1aou/1aou.pr.out
profile	/app/data/saxs_computation/ao/1aou/1aou.dat