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1bxg

PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND BETA-PHENYLPROPIONATE

Method: X-RAY DIFFRACTION D_max: 102.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bxg
deposition_date	1998-10-02
title	PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND BETA-PHENYLPROPIONATE
keywords	AMINO ACID DEHYDROGENASE, OXIDATIVE DEAMINATION MECHANISM; AMINO ACID DEHYDROGENASE
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	30.50 Å
rg_electron	30.27 Å
i0	94699300.00
molecular_weight	73330.0 kDa
excluded_volume	90269 Å³
envelope_volume	111260 Å³
shell_volume	32295 Å³
envelope_diameter	107.7 Å
shell_rg	35.70 Å
envelope_rg	30.22 Å
shape_rg	30.27 Å
total_rg	30.75 Å
total_atoms	5143
n_residues	696
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	102.2 Å
rg_real	30.72 Å
rg_real_error	0.67 Å
i0_real	9.4700e+07
i0_real_error	1.5630e+06
rg_reciprocal	30.63 Å
i0_reciprocal	94690000.0000
total_estimate	0.8444
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	29.5 Å
skewness	0.520
kurtosis	-0.384
angular_range	— – 0.2600 Å⁻¹
current_alpha	0.0001
highest_alpha	33230000.0000
n_real_points	53
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.747; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.841; Smooth: 0.890

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4. Crystallography & Experiment

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5. Entities & Polymer Info (7)

Entity 1 polymer

description	PHENYLALANINE DEHYDROGENASE
formula_weight	36571.8 kDa
ec_number	1.4.1.20
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5318

MSIDSALNWDGEMTVTRFDSKTGAHFVIRLDSTQLGPAAGGTRAAQYSQLADALTDAGKLAGAMTLKMAVSNLPMGGGKSVIALPAPRHSIDPSTWARILRIHAENIDKLSGNYWTGPDVNTNSADMDTLNDTTEFVFGRSLERGGAGSSAFTTAVGVFEAMKATVAHRGLGSLDGLTVLVQGLGAVGGSLASLAAEAGAQLLVADTDTERVAHAVALGHTAVALEDVLSTPCDVFAPCAMGGVITTEVARTLDCSVVAGAANNVIADEAASDILHARGILYAPDFVANAGGAIHLVGREVLGWSESVVHERAVAIGDTLNQVFEISDNDGVTPDEAARTLAGRRAREASTTTATA

Source

organism	Rhodococcus sp.
ncbi_taxonomy_id	1831
host_organism	Escherichia coli BL21(DE3)

Entity 2 polymer

description	PHENYLALANINE DEHYDROGENASE
formula_weight	36644.0 kDa
ec_number	1.4.1.20
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

MSIDSALNWDGEMTVTRFDRMTGAHFVIRLDSTQLGPAAGGTRAAQYSQLADALTDAGKLAGAMTLKMAVSNLPMGGGKSVIALPAPRHSIDPSTWARILRIHAENIDKLSGNYWTGPDVNTNSADMDTLNDTTEFVFGRSLERGGAGSSAFTTAVGVFEAMKATVAHRGLGSLDGLTVLVQGLGAVGGSLASLAAEAGAQLLVADTDTERVAHAVALGHTAVALEDVLSTPCDVFAPCAMGGVITTEVARTLDCSVVAGAANNVIADEAASDILHARGILYAPDFVANAGGAIHLVGREVLGWSESVVHERAVAIGDTLNQVFEISDNDGVTPDEAARTLAGRRAREASTTTATA

Source

organism	Rhodococcus sp.
ncbi_taxonomy_id	1831
host_organism	Escherichia coli BL21(DE3)

Entity 3 non-polymer

description	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
formula_weight	663.4 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	HYDROCINNAMIC ACID
formula_weight	150.2 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	POTASSIUM ION
formula_weight	39.1 kDa
src_method	syn
entity_count	1

Entity 6 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	1

Entity 7 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	175

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6. Citations (1)

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length_a	65.510 Å
length_b	116.960 Å
length_c	111.550 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	2.300 Å
resolution_low	30.000 Å
r_factor	—
r_work	0.1700
r_free	—

fit	/app/data/saxs_computation/bx/1bxg/1bxg.fit
pddf	/app/data/pr_computation/bx/1bxg/1bxg.pr.out
profile	/app/data/saxs_computation/bx/1bxg/1bxg.dat

PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND BETA-PHENYLPROPIONATE

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 (7)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 non-polymer

Entity 7 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)