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1bvn

PIG PANCREATIC ALPHA-AMYLASE IN COMPLEX WITH THE PROTEINACEOUS INHIBITOR TENDAMISTAT

Method: X-RAY DIFFRACTION D_max: 79.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bvn
deposition_date	1998-09-16
title	PIG PANCREATIC ALPHA-AMYLASE IN COMPLEX WITH THE PROTEINACEOUS INHIBITOR TENDAMISTAT
keywords	;GLYCOSYLTRANSFERASE, ALPHA-1, 4-GLUCAN-4-GLUCANOHYDROLASE, ALPHA-AMYLASE, PROTEINACEOUS ALPHA-AMYLASE INHIBITOR, HYDROLASE-HYDROLASE INHIBITOR COMPLEX ;; HYDROLASE/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	24.70 Å
rg_electron	23.56 Å
i0	69166700.00
molecular_weight	63074.0 kDa
excluded_volume	77893 Å³
envelope_volume	88354 Å³
shell_volume	30575 Å³
envelope_diameter	81.3 Å
shell_rg	31.44 Å
envelope_rg	23.80 Å
shape_rg	23.52 Å
total_rg	24.47 Å
total_atoms	4445
n_residues	567
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	79.0 Å
rg_real	24.58 Å
rg_real_error	0.45 Å
i0_real	6.9170e+07
i0_real_error	9.7000e+05
rg_reciprocal	24.61 Å
i0_reciprocal	69170000.0000
total_estimate	0.8939
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	30.1 Å
skewness	0.257
kurtosis	-0.336
angular_range	— – 0.3200 Å⁻¹
current_alpha	0.0000
highest_alpha	13470000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.878; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.983

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	PROTEIN (ALPHA-AMYLASE)
formula_weight	55418.7 kDa
ec_number	3.2.1.1
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	P
atom_count	4606

QYAPQTQSGRTDIVHLFEWRWVDIALECERYLGPKGFGGVQVSPPNENVVVTNPSRPWWERYQPVSYKLCTRSGNENEFRDMVTRCNNVGVRIYVDAVINHMCGSGAAAGTGTTCGSYCNPGSREFPAVPYSAWDFNDGKCKTASGGIESYNDPYQVRDCQLVGLLDLALEKDYVRSMIADYLNKLIDIGVAGFRLDASKHMWPGDIKAVLDKLHNLNTNWFPAGSRPFIFQEVIDLGGEAISSSEYFGNGRVTEFKYGAKLGTVVRKWSGEKMSYLKNWGEGWGFMPSDRALVFVDNHDNQRGHGAGGSSILTFWDARLYKVAVGFMLAHPYGFTRVMSSYRWARNFVNGEDVNDWIGPPNNNGVIKEVTINADTTCGNDWVCEHRWREIRNMVWFRNVVDGQPFANWWDNGSNQVAFGRGNRGFIVFNNDDWQLSSTLQTGLPGGTYCNVISGDKVGNSCTGIKVYVSSDGTAQFSISNSAQDPFIAIHAESKL

Entity 2 polymer

description	PROTEIN (TENDAMISTAT)
formula_weight	7967.7 kDa
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	T

DTTVSEPAPSCVTLYQSWRYSQADNGCAETVTVKVVYEDDTEGLCYAVAPGQITTVGDGYIGSHGHARYLARCL

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	161

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6. Citations (6)

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length_a	77.700 Å
length_b	77.700 Å
length_c	359.500 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 65 2 2
int_tables_number	179
crystal_system	—

resolution	2.500 Å
resolution_low	29.400 Å
r_factor	0.1660
r_work	0.1660
r_free	0.2600

fit	/app/data/saxs_computation/bv/1bvn/1bvn.fit
pddf	/app/data/pr_computation/bv/1bvn/1bvn.pr.out
profile	/app/data/saxs_computation/bv/1bvn/1bvn.dat

PIG PANCREATIC ALPHA-AMYLASE IN COMPLEX WITH THE PROTEINACEOUS INHIBITOR TENDAMISTAT

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 (5)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (6)

7. Files & Curves (10)

Files (7)

Curves (3)