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1abo

CRYSTAL STRUCTURE OF THE COMPLEX OF THE ABL TYROSINE KINASE SH3 DOMAIN WITH 3BP-1 SYNTHETIC PEPTIDE

Method: X-RAY DIFFRACTION D_max: 51.5 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1abo
deposition_date	1995-05-19
title	CRYSTAL STRUCTURE OF THE COMPLEX OF THE ABL TYROSINE KINASE SH3 DOMAIN WITH 3BP-1 SYNTHETIC PEPTIDE
keywords	SH3 DOMAIN, TRANSFERASE (PHOSPHOTRANSFERASE), PROTO-ONCOGENE, COMPLEX (KINASE-PEPTIDE) COMPLEX; COMPLEX (KINASE/PEPTIDE)
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	16.37 Å
rg_electron	15.55 Å
i0	4588390.00
molecular_weight	15061.0 kDa
excluded_volume	18730 Å³
envelope_volume	22525 Å³
shell_volume	12607 Å³
envelope_diameter	49.9 Å
shell_rg	20.62 Å
envelope_rg	15.63 Å
shape_rg	15.50 Å
total_rg	16.68 Å
total_atoms	1060
n_residues	136
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	51.5 Å
rg_real	16.31 Å
rg_real_error	0.27 Å
i0_real	4.5880e+06
i0_real_error	4.8950e+04
rg_reciprocal	16.32 Å
i0_reciprocal	4588000.0000
total_estimate	0.9003
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	19.2 Å
skewness	0.239
kurtosis	-0.466
angular_range	— – 0.4850 Å⁻¹
current_alpha	0.0000
highest_alpha	1577000.0000
n_real_points	79
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.912; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.968

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ABL TYROSINE KINASE
formula_weight	6880.6 kDa
ec_number	2.7.1.112
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	1181

MNDPNLFVALYDFVASGDNTLSITKGEKLRVLGYNHNGEWCEAQTKNGQGWVPSNYITPVNS

Source

organism	Mus musculus
common_name	house mouse
ncbi_taxonomy_id	10090
host_organism	Escherichia coli

Entity 2 polymer

description	3BP-1 SYNTHETIC PEPTIDE, 10 RESIDUES
formula_weight	1017.2 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	C,D

APTMPPPLPP

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	121

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6. Citations (4)

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length_a	33.800 Å
length_b	54.200 Å
length_c	35.000 Å
angle_alpha	90.00 °
angle_beta	96.80 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.000 Å
resolution_low	8.000 Å
r_factor	0.1560
r_work	0.1560
r_free	—

fit	/app/data/saxs_computation/ab/1abo/1abo.fit
pddf	/app/data/pr_computation/ab/1abo/1abo.pr.out
profile	/app/data/saxs_computation/ab/1abo/1abo.dat

CRYSTAL STRUCTURE OF THE COMPLEX OF THE ABL TYROSINE KINASE SH3 DOMAIN WITH 3BP-1 SYNTHETIC PEPTIDE

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 (4)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 water

6. Citations (4)

7. Files & Curves (10)

Files (7)

Curves (3)