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1e8n

PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, MUTANT, COMPLEXED WITH PEPTIDE

Method: X-RAY DIFFRACTION D_max: 83.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e8n
deposition_date	2000-09-27
title	PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, MUTANT, COMPLEXED WITH PEPTIDE
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	26.95 Å
rg_electron	25.80 Å
i0	105603000.00
molecular_weight	81875.0 kDa
excluded_volume	102780 Å³
envelope_volume	122660 Å³
shell_volume	38159 Å³
envelope_diameter	84.7 Å
shell_rg	34.55 Å
envelope_rg	25.69 Å
shape_rg	25.78 Å
total_rg	26.79 Å
total_atoms	5780
n_residues	716
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	83.6 Å
rg_real	26.77 Å
rg_real_error	0.42 Å
i0_real	1.0560e+08
i0_real_error	1.3370e+06
rg_reciprocal	26.83 Å
i0_reciprocal	105600000.0000
total_estimate	0.8971
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	34.0 Å
skewness	0.157
kurtosis	-0.414
angular_range	— – 0.2950 Å⁻¹
current_alpha	0.0000
highest_alpha	21900000.0000
n_real_points	60
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.898; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.977

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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	6700

MLSFQYPDVYRDETAIQDYHGHKVCDPYAWLEDPDSEQTKAFVEAQNKITVPFLEQCPIRGLYKERMTELYDYPKYSCHFKKGKRYFYFYNTGLQNQRVLYVQDSLEGEARVFLDPNILSDDGTVALRGYAFSEDGEYFAYGLSASGSDWVTIKFMKVDGAKELPDVLERVKFSCMAWTHDGKGMFYNAYPQQDGKSDGTETSTNLHQKLYYHVLGTDQSEDILCAEFPDEPKWMGGAELSDDGRYVLLSIREGCDPVNRLWYCDLQQESNGITGILKWVKLIDNFEGEYDYVTNEGTVFTFKTNRHSPNYRLINIDFTDPEESKWKVLVPEHEKDVLEWVACVRSNFLVLCYLHDVKNTLQLHDLATGALLKIFPLEVGSVVGYSGQKKDTEIFYQFTSFLSPGIIYHCDLTKEELEPRVFREVTVKGIDASDYQTVQIFYPSKDGTKIPMFIVHKKGIKLDGSHPAFLYGYGGFNISITPNYSVSRLIFVRHMGGVLAVANIRGGGEYGETWHKGGILANKQNCFDDFQCAAEYLIKEGYTSPKRLTINGGANGGLLVATCANQRPDLFGCVIAQVGVMDMLKFHKYTIGHAWTTDYGCSDSKQHFEWLIKYSPLHNVKLPEADDIQYPSMLLLTADHDDRVVPLHSLKFIATLQYIVGRSRKQNNPLLIHVDTKAGHGAGKPTAKVIEEVSDMFAFIARCLNIDWIP

Source

organism	SUS SCROFA
common_name	WILD BOAR
ncbi_taxonomy_id	9823
host_organism	ESCHERICHIA COLI

Entity 2 polymer

description	PEPTIDE INHIBITOR
formula_weight	918.0 kDa
src_method	syn
entity_count	1

Polymer

type	polypeptide(L)
strand_id	I

XGFGPFGFA

Entity 3 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	5

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	920

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6. Citations (3)

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length_a	70.700 Å
length_b	99.700 Å
length_c	110.700 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	19.000 Å
r_factor	0.1920
r_work	0.1920
r_free	0.2120

fit	/app/data/saxs_computation/e8/1e8n/1e8n.fit
pddf	/app/data/pr_computation/e8/1e8n/1e8n.pr.out
profile	/app/data/saxs_computation/e8/1e8n/1e8n.dat

PROLYL OLIGOPEPTIDASE FROM PORCINE BRAIN, MUTANT, COMPLEXED WITH PEPTIDE

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 (4)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 water

6. Citations (3)

7. Files & Curves (10)

Files (7)

Curves (3)