← Back to search

1atk

CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH THE COVALENT INHIBITOR E-64

Method: X-RAY DIFFRACTION D_max: 56.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1atk
deposition_date	1996-12-19
title	CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH THE COVALENT INHIBITOR E-64
keywords	HYDROLASE, SULFHYDRYL PROTEINASE; HYDROLASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	17.52 Å
rg_electron	16.34 Å
i0	11060600.00
molecular_weight	23863.0 kDa
excluded_volume	29502 Å³
envelope_volume	32796 Å³
shell_volume	16625 Å³
envelope_diameter	57.4 Å
shell_rg	22.72 Å
envelope_rg	16.68 Å
shape_rg	16.30 Å
total_rg	17.44 Å
total_atoms	1676
n_residues	215
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	56.8 Å
rg_real	17.41 Å
rg_real_error	0.37 Å
i0_real	1.1060e+07
i0_real_error	1.3070e+05
rg_reciprocal	17.42 Å
i0_reciprocal	11060000.0000
total_estimate	0.8074
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	21.9 Å
skewness	0.191
kurtosis	-0.348
angular_range	— – 0.4550 Å⁻¹
current_alpha	0.0000
highest_alpha	2651000.0000
n_real_points	76
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.832; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (3)

Entity 1 polymer

description	CATHEPSIN K
formula_weight	23523.5 kDa
ec_number	3.4.22.38
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1704

APDSVDYRKKGYVTPVKNQGQCGSCWAFSSVGALEGQLKKKTGKLLNLSPQNLVDCVSENDGCGGGYMTNAFQYVQKNRGIDSEDAYPYVGQEESCMYNPTGKAAKCRGYREIPEGNEKALKRAVARVGPVSVAIDASLTSFQFYSKGVYYDESCNSDNLNHAVLAVGYGIQKGNKHWIIKNSWGENWGNKGYILMARNKNNACGIANLASFPKM

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Spodoptera frugiperda

Entity 2 non-polymer

description	N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
formula_weight	360.4 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	28

▶

6. Citations (1)

▶

length_a	38.400 Å
length_b	50.700 Å
length_c	104.900 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	7.000 Å
r_factor	0.2150
r_work	0.2150
r_free	0.3100

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

CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH THE COVALENT INHIBITOR E-64

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