SAXSdb — 1dhk

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1. Structure Basics

entry_id	1dhk
deposition_date	1996-10-14
title	STRUCTURE OF PORCINE PANCREATIC ALPHA-AMYLASE
keywords	PANCREATIC ALPHA-AMYLASE, PORCINE, LECTIN-LIKE INHIBITOR, COMPLEX (HYDROLASE-INHIBITOR), COMPLEX (HYDROLASE-INHIBITOR) complex; COMPLEX (HYDROLASE/INHIBITOR)
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	27.50 Å
rg_electron	26.59 Å
i0	102725000.00
molecular_weight	78047.0 kDa
excluded_volume	96553 Å³
envelope_volume	111740 Å³
shell_volume	34720 Å³
envelope_diameter	95.0 Å
shell_rg	34.26 Å
envelope_rg	26.83 Å
shape_rg	26.55 Å
total_rg	27.39 Å
total_atoms	6746
n_residues	690
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	101.2 Å
rg_real	27.44 Å
rg_real_error	0.99 Å
i0_real	1.0270e+08
i0_real_error	1.5950e+06
rg_reciprocal	27.46 Å
i0_reciprocal	102700000.0000
total_estimate	0.7634
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	31.4 Å
skewness	0.304
kurtosis	-0.396
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	23150000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.654; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.964; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (7)

Entity 1 polymer

description	PORCINE PANCREATIC ALPHA-AMYLASE
formula_weight	55400.7 kDa
ec_number	3.2.1.1
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	7712

QYAPQTQSGRTSIVHLFEWRWVDIALECERYLGPKGFGGVQVSPPNENVVVTNPSRPWWERYQPVSYKLCTRSGNENEFRDMVTRCNNVGVRIYVDAVINHMCGSGAAAGTGTTCGSYCNPGSREFPAVPYSAWDFNDGKCKTASGGIESYNDPYQVRDCQLVGLLDLALEKDYVRSMIADYLNKLIDIGVAGFRIDASKHMWPGDIKAVLDKLHNLNTNWFPAGSRPFIFQEVIDLGGEAIQSSEYFGNGRVTEFKYGAKLGTVVRKWSGEKMSYLKNWGEGWGFMPSDRALVFVDNHDNQRGHGAGGASILTFWDARLYKVAVGFMLAHPYGFTRVMSSYRWARNFVNGEDVNDWIGPPNNNGVIKEVTINADTTCGNDWVCEHRWREIRNMVWFRNVVDGQPFANWWDNGSNQVAFGRGNRGFIVFNNDDWQLSSTLQTGLPGGTYCDVISGDKVGNSCTGIKVYVSSDGTAQFSISNSAEDPFIAIHAESKL

Entity 2 polymer

description	BEAN LECTIN-LIKE INHIBITOR
formula_weight	24813.1 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

ATETSFIIDAFNKTNLILQGDATVSSNGNLQLSYNSYDSMSRAFYSAPIQIRDSTTGNVASFDTNFTMNIRTHRQANSAVGLDFVLVPVQPESKGDTVTVEFDTFLSRISIDVNNNDIKSVPWDVHDYDGQNAEVRITYNSSTKVFSVSLSNPSTGKSNNVSTTVELEKEVYDWVSVGFSATSGAYQWSYETHDVLSWSFSSKFINLKDQKSERSNIVLNKIL

Entity 3 branched

description	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	424.4 kDa
src_method	man
entity_count	2

Entity 4 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	3

Entity 5 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	1

Entity 6 non-polymer

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

Entity 7 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	322

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6. Citations (4)

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length_a	151.600 Å
length_b	79.400 Å
length_c	68.000 Å
angle_alpha	90.00 °
angle_beta	91.54 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	1.850 Å
resolution_low	8.000 Å
r_factor	0.1830
r_work	0.1830
r_free	0.2200

fit	/app/data/saxs_computation/dh/1dhk/1dhk.fit
pddf	/app/data/pr_computation/dh/1dhk/1dhk.pr.out
profile	/app/data/saxs_computation/dh/1dhk/1dhk.dat

STRUCTURE OF PORCINE PANCREATIC ALPHA-AMYLASE

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

5. Entities & Polymer Info (7)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 branched

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 non-polymer

Entity 7 water

6. Citations (4)

7. Files & Curves (10)

Files (7)

Curves (3)