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1d09

ASPARTATE TRANSCARBAMOYLASE COMPLEXED WITH N-PHOSPHONACETYL-L-ASPARTATE (PALA)

Method: X-RAY DIFFRACTION D_max: 108.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1d09
deposition_date	1999-09-09
title	ASPARTATE TRANSCARBAMOYLASE COMPLEXED WITH N-PHOSPHONACETYL-L-ASPARTATE (PALA)
keywords	PROTEIN-INHIBITOR COMPLEX ASPARTATE TRANSCARBAMOYLASE ASPARTATE TRANSCARBAMYLASE, TRANSFERASE; TRANSFERASE
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	38.73 Å
rg_electron	38.33 Å
i0	163851000.00
molecular_weight	103460.0 kDa
excluded_volume	129410 Å³
envelope_volume	174020 Å³
shell_volume	37759 Å³
envelope_diameter	117.9 Å
shell_rg	44.78 Å
envelope_rg	36.93 Å
shape_rg	38.35 Å
total_rg	38.67 Å
total_atoms	7266
n_residues	926
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	108.1 Å
rg_real	38.65 Å
rg_real_error	0.67 Å
i0_real	1.6390e+08
i0_real_error	2.5910e+06
rg_reciprocal	38.71 Å
i0_reciprocal	163900000.0000
total_estimate	0.8295
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	65.9 Å
skewness	0.044
kurtosis	-0.941
angular_range	— – 0.2050 Å⁻¹
current_alpha	0.0000
highest_alpha	22400000.0000
n_real_points	42
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.955; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.913; Smooth: 0.003

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	ASPARTATE CARBAMOYLTRANSFERASE CATALYTIC CHAIN
formula_weight	34337.1 kDa
ec_number	2.1.3.2
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,C
atom_count	7883

ANPLYQKHIISINDLSRDDLNLVLATAAKLKANPQPELLKHKVIASCFFEASTRTRLSFETSMHRLGASVVGFSDSANTSLGKKGETLADTISVISTYVDAIVMRHPQEGAARLATEFSGNVPVLNAGDGSNQHPTQTLLDLFTIQQTQGRLDNLHVAMVGDLKYGRTVHSLTQALAKFDGNRFYFIAPDALAMPEYILDMLDEKGIAWSLHSSIEEVMAEVDILYMTRVQKERLDPSEYANVKAQFVLRASDLHNAKANMKVLHPLPRVDEIATDVDKTPHAWYFQQAGNGIFARQALLALVLNRDLVL

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 2 polymer

description	ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN
formula_weight	17143.6 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,D

MTHDNKLQVEAIKRGTVIDHIPAQIGFKLLSLFKLTETDQRITIGLNLPSGEMGRKDLIKIENTFLSEDQVDQLALYAPQATVNRIDNYEVVGKSRPSLPERIDNVLVCPNSNCISHAEPVSSSFAVRKRANDIALKCKYCEKEFSHNVVLAN

Source

organism	Escherichia coli
ncbi_taxonomy_id	562
host_organism	Escherichia coli

Entity 3 non-polymer

description	N-(PHOSPHONACETYL)-L-ASPARTIC ACID
formula_weight	255.1 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	617

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6. Citations (2)

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length_a	122.240 Å
length_b	122.240 Å
length_c	156.360 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 3 2 1
int_tables_number	150
crystal_system	—

resolution	2.100 Å
resolution_low	8.000 Å
r_factor	0.2030
r_work	0.2030
r_free	0.2340

fit	/app/data/saxs_computation/d0/1d09/1d09.fit
pddf	/app/data/pr_computation/d0/1d09/1d09.pr.out
profile	/app/data/saxs_computation/d0/1d09/1d09.dat

ASPARTATE TRANSCARBAMOYLASE COMPLEXED WITH N-PHOSPHONACETYL-L-ASPARTATE (PALA)

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

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)