← Back to search

1a9u

THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB203580

Method: X-RAY DIFFRACTION D_max: 73.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1a9u
deposition_date	1998-04-10
title	THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB203580
keywords	TRANSFERASE, MAP KINASE, SERINE/THREONINE-PROTEIN KINASE, P38; TRANSFERASE
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	22.81 Å
rg_electron	21.83 Å
i0	27067500.00
molecular_weight	40565.0 kDa
excluded_volume	51112 Å³
envelope_volume	59948 Å³
shell_volume	23199 Å³
envelope_diameter	75.0 Å
shell_rg	28.53 Å
envelope_rg	21.91 Å
shape_rg	21.82 Å
total_rg	22.73 Å
total_atoms	2860
n_residues	351
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

▼

3. P(r) Analysis (GNOM)

dmax	73.6 Å
rg_real	22.77 Å
rg_real_error	0.40 Å
i0_real	2.7070e+07
i0_real_error	3.3230e+05
rg_reciprocal	22.78 Å
i0_reciprocal	27070000.0000
total_estimate	0.8964
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.6 Å
skewness	0.323
kurtosis	-0.330
angular_range	— – 0.3500 Å⁻¹
current_alpha	0.0000
highest_alpha	6467000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.884; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.995

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (3)

Entity 1 polymer

description	MAP KINASE P38
formula_weight	43383.4 kDa
ec_number	2.7.1.-
mutation	19 RESIDUES INSERTED AT N-TERMINUS
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2950

GSSHHHHHHSSGLVPRGSHMSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKCQKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLARHTDDEMTGYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLTQMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVADPYDQSFESRDLLIDEWKSLTYDEVISFVPPPLDQEEMES

Source

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

Entity 2 non-polymer

description	4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE
formula_weight	377.4 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	90

▶

6. Citations (4)

▶

length_a	45.480 Å
length_b	85.030 Å
length_c	123.130 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.500 Å
resolution_low	20.000 Å
r_factor	0.1820
r_work	0.1820
r_free	0.2400

fit	/app/data/saxs_computation/a9/1a9u/1a9u.fit
pddf	/app/data/pr_computation/a9/1a9u/1a9u.pr.out
profile	/app/data/saxs_computation/a9/1a9u/1a9u.dat

THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB203580

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