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1bmk

THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB218655

Method: X-RAY DIFFRACTION D_max: 73.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bmk
deposition_date	1998-07-23
title	THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB218655
keywords	TRANSFERASE, INHIBITORS, MAP KINASE, SERINE/ THREONINE-PROTEIN KINASE, P38; 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	22.79 Å
rg_electron	21.77 Å
i0	27243000.00
molecular_weight	40490.0 kDa
excluded_volume	50969 Å³
envelope_volume	60269 Å³
shell_volume	23258 Å³
envelope_diameter	74.8 Å
shell_rg	28.54 Å
envelope_rg	21.99 Å
shape_rg	21.76 Å
total_rg	22.69 Å
total_atoms	2856
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

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3. P(r) Analysis (GNOM)

dmax	73.9 Å
rg_real	22.75 Å
rg_real_error	0.45 Å
i0_real	2.7240e+07
i0_real_error	3.3540e+05
rg_reciprocal	22.76 Å
i0_reciprocal	27240000.0000
total_estimate	0.8921
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.8 Å
skewness	0.330
kurtosis	-0.299
angular_range	— – 0.3500 Å⁻¹
current_alpha	0.0000
highest_alpha	5910000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.874; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.972

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PROTEIN (MAP KINASE P38)
formula_weight	43378.3 kDa
mutation	19 RESIDUES INSERTED AT N-TERMINUS
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2950

GSSHHHHHHSSGLVPRGSHMSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGHRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKCQKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLARHTDDEMTGYVATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLAQMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVADPYDQSFESRDLLIDEWKSLTYDEVISFVPPPLDQEEMES

Source

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

Entity 2 non-polymer

description	4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE
formula_weight	309.3 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	94

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6. Citations (4)

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length_a	45.580 Å
length_b	85.220 Å
length_c	123.500 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	2.400 Å
resolution_low	20.000 Å
r_factor	0.1890
r_work	0.1890
r_free	0.2450

fit	/app/data/saxs_computation/bm/1bmk/1bmk.fit
pddf	/app/data/pr_computation/bm/1bmk/1bmk.pr.out
profile	/app/data/saxs_computation/bm/1bmk/1bmk.dat

THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB218655

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