← Back to search

1e3a

A slow processing precursor penicillin acylase from Escherichia coli

Method: X-RAY DIFFRACTION D_max: 84.2 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1e3a
deposition_date	2000-06-07
title	A slow processing precursor penicillin acylase from Escherichia coli
keywords	ANTIBIOTIC RESISTANCE, AMIDASE, NTN-HYDROLASE, HYDROLYSIS OF PENICILLIN G ACYLASE; ANTIBIOTIC RESISTANCE
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	27.40 Å
rg_electron	26.28 Å
i0	134479000.00
molecular_weight	91538.0 kDa
excluded_volume	114290 Å³
envelope_volume	131020 Å³
shell_volume	39655 Å³
envelope_diameter	89.1 Å
shell_rg	35.31 Å
envelope_rg	26.53 Å
shape_rg	26.26 Å
total_rg	27.20 Å
total_atoms	6469
n_residues	818
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

▼

3. P(r) Analysis (GNOM)

dmax	84.2 Å
rg_real	27.22 Å
rg_real_error	0.31 Å
i0_real	1.3450e+08
i0_real_error	1.6060e+06
rg_reciprocal	27.28 Å
i0_reciprocal	134500000.0000
total_estimate	0.9022
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	34.8 Å
skewness	0.175
kurtosis	-0.447
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	40410000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.924; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.982; Smooth: 0.970

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (6)

Entity 1 polymer

description	PENICILLIN AMIDASE ALPHA SUBUNIT
formula_weight	28963.7 kDa
ec_number	3.5.1.11
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	7742

EQSSSEIKIVRDEYGMPHIYANDTWHLFYGYGYVVAQDRLFQMEMARRSTQGTVAEVLGKDFVKFDKDIRRNYWPDAIRAQIAALSPEDMSILQGYADGMNAWIDKVNTNPETLLPKQFNTFGFTPKRWEPFDVAMIFVGTMANRFSDSTSEIDNLALLTALKDKYGVSQGMAVFNQLKWLVNPSAPTTIAVQESNYPLKFNQQNSQTAALLPRYDLPAPMLDRPAKGADGALLALAAGKNRETIAAQFAQGGANGLAGY

Source

organism	ESCHERICHIA COLI
ncbi_taxonomy_id	562
host_organism	ESCHERICHIA COLI

Entity 2 polymer

description	PENICILLIN AMIDASE BETA SUBUNIT
formula_weight	62684.8 kDa
ec_number	3.5.1.11
mutation	YES
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

PTGSNMWVIGKSKAQDAKAIMVNGPQFGWYAPAYTYGIGLHGAGYDVTGNTPFAYPGLVFGHNGVISWGSTAGFGDDVDIFAERLSAEKPGYYLHNGKWVKMLSREETITVKNGQAETFTVWRTVHGNILQTDQTTQTAYAKSRAWDGKEVASLLAWTHQMKAKNWQEWTQQAAKQALTINWYYADVNGNIGYVHTGAYPDRQSGHDPRLPVPGTGKWDWKGLLPFEMNPKVYNPQSGYIANWNNSPQKDYPASDLFAFLWGGADRVTEIDRLLEQKPRLTADQAWDVIRQTSRQDLNLRLFLPTLQAATSGLTQSDPRRQLVETLTRWDGINLLNDDGKTWQQPGSAILNVWLTSMLKRTVVAAVPMPFDKWYSASGYETTQDGPTGSLNISVGAKILYEAVQGDKSPIPQAVDLFAGKPQQEVVLAALEDTWETLSKRYGNNVSNWKTPAMALTFRANNFFGVPQAAAEETRHQAEYQNRGTENDMIVFSPTTSDRPVLAWDVVAPGQSGFIAPDGTVDKHYEDQLKMYENFGRKSLWLTKQDVEAHKESQEVLHVQR

Source

organism	ESCHERICHIA COLI
ncbi_taxonomy_id	562
host_organism	ESCHERICHIA COLI

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 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	3

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1193

▶

6. Citations (2)

▶

length_a	50.710 Å
length_b	64.270 Å
length_c	72.000 Å
angle_alpha	66.14 °
angle_beta	74.18 °
angle_gamma	74.23 °
z_pdb	1

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	1.800 Å
resolution_low	20.000 Å
r_factor	0.1490
r_work	0.1580
r_free	0.1970

fit	/app/data/saxs_computation/e3/1e3a/1e3a.fit
pddf	/app/data/pr_computation/e3/1e3a/1e3a.pr.out
profile	/app/data/saxs_computation/e3/1e3a/1e3a.dat

A slow processing precursor penicillin acylase from Escherichia coli

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 (6)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)