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1f3m

CRYSTAL STRUCTURE OF HUMAN SERINE/THREONINE KINASE PAK1

Method: X-RAY DIFFRACTION D_max: 112.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1f3m
deposition_date	2000-06-05
title	CRYSTAL STRUCTURE OF HUMAN SERINE/THREONINE KINASE PAK1
keywords	Kinase domain, autoinhibitory fragment, homodimer, TRANSFERASE; TRANSFERASE
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	33.99 Å
rg_electron	33.46 Å
i0	122322000.00
molecular_weight	83017.0 kDa
excluded_volume	100760 Å³
envelope_volume	135490 Å³
shell_volume	34637 Å³
envelope_diameter	113.3 Å
shell_rg	39.52 Å
envelope_rg	32.49 Å
shape_rg	33.37 Å
total_rg	34.18 Å
total_atoms	5605
n_residues	712
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	112.9 Å
rg_real	34.05 Å
rg_real_error	1.01 Å
i0_real	1.2230e+08
i0_real_error	2.0240e+06
rg_reciprocal	34.01 Å
i0_reciprocal	122300000.0000
total_estimate	0.8855
solution_quality	GOOD a GOOD solution
n_peaks	0
r_peak_primary	— Å
skewness	0.302
kurtosis	-0.605
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	22550000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.904; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.869; Smooth: 0.925

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	SERINE/THREONINE-PROTEIN KINASE PAK-ALPHA
formula_weight	9180.2 kDa
ec_number	2.7.1.-
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6187

KERPEISLPSDFEHTIHVGFDAVTGEFTGMPEQWARLLQTSNITKSEQKKNPQAVLDVLEFYNSKKTSNSQKYMSFTDKS

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	SERINE/THREONINE-PROTEIN KINASE PAK-ALPHA
formula_weight	33273.2 kDa
ec_number	2.7.1.-
mutation	K299R
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	C,D

SDEEILEKLRSIVSVGDPKKKYTRFEKIGQGASGTVYTAMDVATGQEVAIRQMNLQQQPKKELIINEILVMRENKNPNIVNYLDSYLVGDELWVVMEYLAGGSLTDVVTETCMDEGQIAAVCRECLQALEFLHSNQVIHRDIKSDNILLGMDGSVKLTDFGFCAQITPEQSKRSTMVGTPYWMAPEVVTRKAYGPKVDIWSLGIMAIEMIEGEPPYLNENPLRALYLIATNGTPELQNPEKLSAIFRDFLNRCLDMDVEKRGSAKELLQHQFLKIAKPLSSLTPLIAAAKEATKNNH

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 3 non-polymer

description	IODIDE ION
formula_weight	126.9 kDa
src_method	syn
entity_count	28

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	582

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6. Citations (1)

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length_a	94.583 Å
length_b	94.583 Å
length_c	147.497 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 41
int_tables_number	76
crystal_system	—

resolution	2.300 Å
resolution_low	34.080 Å
r_factor	0.2580
r_work	0.2370
r_free	0.2580

fit	/app/data/saxs_computation/f3/1f3m/1f3m.fit
pddf	/app/data/pr_computation/f3/1f3m/1f3m.pr.out
profile	/app/data/saxs_computation/f3/1f3m/1f3m.dat

CRYSTAL STRUCTURE OF HUMAN SERINE/THREONINE KINASE PAK1

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

5. Entities & Polymer Info (4)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)