← Back to search

1atp

;2.2 angstrom refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with MNATP and a peptide inhibitor ;

Method: X-RAY DIFFRACTION D_max: 66.8 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1atp
deposition_date	1993-01-08
title	;2.2 angstrom refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with MNATP and a peptide inhibitor ;
keywords	TRANSFERASE(PHOSPHOTRANSFERASE); TRANSFERASE(PHOSPHOTRANSFERASE)
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	21.14 Å
rg_electron	20.01 Å
i0	29144800.00
molecular_weight	42118.0 kDa
excluded_volume	52957 Å³
envelope_volume	59379 Å³
shell_volume	24078 Å³
envelope_diameter	68.8 Å
shell_rg	27.25 Å
envelope_rg	20.25 Å
shape_rg	19.99 Å
total_rg	20.97 Å
total_atoms	2967
n_residues	354
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	66.8 Å
rg_real	21.01 Å
rg_real_error	0.35 Å
i0_real	2.9140e+07
i0_real_error	3.4140e+05
rg_reciprocal	21.03 Å
i0_reciprocal	29150000.0000
total_estimate	0.7148
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	26.5 Å
skewness	0.190
kurtosis	-0.372
angular_range	— – 0.3750 Å⁻¹
current_alpha	0.0000
highest_alpha	7118000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.874; Stabil: 1.000; Sysdev: 0.225; Positv: 1.000; Valcen: 0.992; Smooth: 0.999

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (5)

Entity 1 polymer

description	cAMP-DEPENDENT PROTEIN KINASE
formula_weight	40657.3 kDa
ec_number	2.7.1.37
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	E
atom_count	3070

GNAAAAKKGSEQESVKEFLAKAKEDFLKKWETPSQNTAQLDQFDRIKTLGTGSFGRVMLVKHKESGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVAGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEEEIRVSINEKCGKEFTEF

Source

organism	Mus musculus
common_name	house mouse
ncbi_taxonomy_id	10090

Entity 2 polymer

description	PEPTIDE INHIBITOR PKI(5-24)
formula_weight	2226.4 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	I

TTYADFIASGRTGRRNAIHD

Source

organism	Mus musculus
common_name	house mouse
ncbi_taxonomy_id	10090

Entity 3 non-polymer

description	MANGANESE (II) ION
formula_weight	54.9 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	ADENOSINE-5'-TRIPHOSPHATE
formula_weight	507.2 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	103

▶

6. Citations (6)

▶

length_a	73.580 Å
length_b	76.280 Å
length_c	80.580 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	2.200 Å
resolution_low	10.000 Å
r_factor	—
r_work	0.1770
r_free	—

fit	/app/data/saxs_computation/at/1atp/1atp.fit
pddf	/app/data/pr_computation/at/1atp/1atp.pr.out
profile	/app/data/saxs_computation/at/1atp/1atp.dat

;2.2 angstrom refined crystal structure of the catalytic subunit of cAMP-dependent protein kinase complexed with MNATP and a peptide inhibitor ;

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 (5)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (6)

7. Files & Curves (10)

Files (7)

Curves (3)