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1bsi

HUMAN PANCREATIC ALPHA-AMYLASE FROM PICHIA PASTORIS, GLYCOSYLATED PROTEIN

Method: X-RAY DIFFRACTION D_max: 81.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bsi
deposition_date	1998-08-28
title	HUMAN PANCREATIC ALPHA-AMYLASE FROM PICHIA PASTORIS, GLYCOSYLATED PROTEIN
keywords	AMYLASE, PICHIA PASTORIS, GLYCOSYLATED PROTEIN, MUTAGENESIS, DIABETES, CATALYSIS, PANCREATIC, ENZYME, HUMAN, HYDROLASE; HYDROLASE
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	24.06 Å
rg_electron	23.00 Å
i0	54527500.00
molecular_weight	56147.0 kDa
excluded_volume	69460 Å³
envelope_volume	78094 Å³
shell_volume	28110 Å³
envelope_diameter	83.8 Å
shell_rg	30.49 Å
envelope_rg	23.17 Å
shape_rg	22.98 Å
total_rg	23.83 Å
total_atoms	3962
n_residues	495
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	81.8 Å
rg_real	24.00 Å
rg_real_error	0.63 Å
i0_real	5.4530e+07
i0_real_error	8.6220e+05
rg_reciprocal	24.02 Å
i0_reciprocal	54530000.0000
total_estimate	0.8678
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.4 Å
skewness	0.340
kurtosis	-0.198
angular_range	— – 0.3300 Å⁻¹
current_alpha	0.0000
highest_alpha	9380000.0000
n_real_points	65
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.771; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.968

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	ALPHA-AMYLASE
formula_weight	55931.3 kDa
ec_number	3.2.1.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4184

QYSPNTQQGRTSIVHLFEWRWVDIALECERYLAPKGFGGVQVSPPNENVAIYNPFRPWWERYQPVSYKLCTRSGNEDEFRNMVTRCNNVGVRIYVDAVINHMCGNAVSAGTSSTCGSYFNPGSRDFPAVPYSGWDFNDGKCKTGSGDIENYNDATQVRDCRLTGLLDLALEKDYVRSKIAEYMNHLIDIGVAGFRLDASKHMWPGDIKAILDKLHNLNSNWFPAGSKPFIYQEVIDLGGEPIKSSDYFGNGRVTEFKYGAKLGTVIRKWNGEKMSYLKNWGEGWGFVPSDRALVFVDNHDNQRGHGAGGASILTFWDARLYKMAVGFMLAHPYGFTRVMSSYRWPRQFQNGNDVNDWVGPPNNNGVIKEVTINPDTTCGNDWVCEHRWRQIRNMVIFRNVVDGQPFTNWYDNGSNQVAFGRGNRGFIVFNNDDWSFSLTLQTGLPAGTYCDVISGDKINGNCTGIKIYVSDDGKAHFSISNSAEDPFIAIHAESKL

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Pichia pastoris

Entity 2 non-polymer

description	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	222

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6. Citations (1)

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length_a	52.910 Å
length_b	68.900 Å
length_c	131.770 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	2.000 Å
resolution_low	10.000 Å
r_factor	0.1840
r_work	0.1840
r_free	—

fit	/app/data/saxs_computation/bs/1bsi/1bsi.fit
pddf	/app/data/pr_computation/bs/1bsi/1bsi.pr.out
profile	/app/data/saxs_computation/bs/1bsi/1bsi.dat