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1e8m

PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, MUTANT, COMPLEXED WITH INHIBITOR

Method: X-RAY DIFFRACTION D_max: 81.7 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e8m
deposition_date	2000-09-27
title	PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, MUTANT, COMPLEXED WITH INHIBITOR
keywords	HYDROLASE, PROLYL OLIGOPEPTIDASE, AMNESIA, ALPHA/ BETA-HYDROLASE, BETA-PROPELLER, 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	27.01 Å
rg_electron	25.86 Å
i0	103818000.00
molecular_weight	81130.0 kDa
excluded_volume	101820 Å³
envelope_volume	122320 Å³
shell_volume	38080 Å³
envelope_diameter	86.0 Å
shell_rg	34.55 Å
envelope_rg	25.68 Å
shape_rg	25.84 Å
total_rg	26.83 Å
total_atoms	5728
n_residues	710
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	81.7 Å
rg_real	26.83 Å
rg_real_error	0.37 Å
i0_real	1.0380e+08
i0_real_error	1.2730e+06
rg_reciprocal	26.89 Å
i0_reciprocal	103800000.0000
total_estimate	0.9032
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	34.6 Å
skewness	0.152
kurtosis	-0.415
angular_range	— – 0.2950 Å⁻¹
current_alpha	0.0000
highest_alpha	19770000.0000
n_real_points	60
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.927; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.984; Smooth: 0.974

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROLYL ENDOPEPTIDASE
formula_weight	80848.3 kDa
ec_number	3.4.21.26
mutation	YES
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	6931

MLSFQYPDVYRDETAIQDYHGHKVCDPYAWLEDPDSEQTKAFVEAQNKITVPFLEQCPIRGLYKERMTELYDYPKYSCHFKKGKRYFYFYNTGLQNQRVLYVQDSLEGEARVFLDPNILSDDGTVALRGYAFSEDGEYFAYGLSASGSDWVTIKFMKVDGAKELPDVLERVKFSCMAWTHDGKGMFYNAYPQQDGKSDGTETSTNLHQKLYYHVLGTDQSEDILCAEFPDEPKWMGGAELSDDGRYVLLSIREGCDPVNRLWYCDLQQESNGITGILKWVKLIDNFEGEYDYVTNEGTVFTFKTNRHSPNYRLINIDFTDPEESKWKVLVPEHEKDVLEWVACVRSNFLVLCYLHDVKNTLQLHDLATGALLKIFPLEVGSVVGYSGQKKDTEIFYQFTSFLSPGIIYHCDLTKEELEPRVFREVTVKGIDASDYQTVQIFYPSKDGTKIPMFIVHKKGIKLDGSHPAFLYGYGGFNISITPNYSVSRLIFVRHMGGVLAVANIRGGGEYGETWHKGGILANKQNCFDDFQCAAEYLIKEGYTSPKRLTINGGANGGLLVATCANQRPDLFGCVIAQVGVMDMLKFHKYTIGHAWTTDYGCSDSKQHFEWLIKYSPLHNVKLPEADDIQYPSMLLLTADHDDRVVPLHSLKFIATLQYIVGRSRKQNNPLLIHVDTKAGHGAGKPTAKVIEEVSDMFAFIARCLNIDWIP

Source

organism	SUS SCROFA
common_name	WILD BOAR
ncbi_taxonomy_id	9823
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	N-[(benzyloxy)carbonyl]glycyl-L-proline
formula_weight	306.3 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1203

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6. Citations (3)

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length_a	71.100 Å
length_b	100.100 Å
length_c	111.300 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	1.500 Å
resolution_low	18.000 Å
r_factor	0.1930
r_work	0.1930
r_free	0.2170

fit	/app/data/saxs_computation/e8/1e8m/1e8m.fit
pddf	/app/data/pr_computation/e8/1e8m/1e8m.pr.out
profile	/app/data/saxs_computation/e8/1e8m/1e8m.dat

PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, MUTANT, COMPLEXED WITH 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

Diffraction