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1bw9

PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND PHENYLPYRUVATE

Method: X-RAY DIFFRACTION D_max: 116.6 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bw9
deposition_date	1998-10-01
title	PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND PHENYLPYRUVATE
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	36.14 Å
rg_electron	36.06 Å
i0	90791400.00
molecular_weight	73692.0 kDa
excluded_volume	90873 Å³
envelope_volume	119810 Å³
shell_volume	27527 Å³
envelope_diameter	114.4 Å
shell_rg	42.44 Å
envelope_rg	35.38 Å
shape_rg	36.04 Å
total_rg	36.54 Å
total_atoms	5162
n_residues	697
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	116.6 Å
rg_real	36.41 Å
rg_real_error	1.07 Å
i0_real	9.0790e+07
i0_real_error	1.6540e+06
rg_reciprocal	36.25 Å
i0_reciprocal	90780000.0000
total_estimate	0.6898
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	26.5 Å
skewness	0.312
kurtosis	-0.977
angular_range	— – 0.2200 Å⁻¹
current_alpha	0.0000
highest_alpha	17630000.0000
n_real_points	45
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.485; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.510; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (10)

Entity 1 polymer

description	PHENYLALANINE DEHYDROGENASE
formula_weight	36559.8 kDa
ec_number	1.4.1.20
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	6225

MSIDSALNWDGEMTVTRFDSMTGAHFVIRLDSTQLGPAAGGTRAAQYSNLADALTDAGKLAGAMTLKMAVSNLPMGGGKSVIALPAPRHSIDPSTWARILRIHAENIDKLSGNYWTGPDVNTNSADMDTLNDTTEFVFGRSLERGGAGSSAFTTAVGVFEAMKATVAHRGLGSLDGLTVLVQGLGAVGGSLASLAAEAGAQLLVADTDTERVAHAVALGHTAVALEDVLSTPCDVFAPCAMGGVITTEVARTLDCSVVAGAANNVIADEAASDILHARGILYAPDFVANAGGAIHLVGREVLGWSESVVHERAVAIGDTLNQVFEISDNDGVTPDEAARTLAGRRAREASTTTATA

Source

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

Entity 2 polymer

description	PHENYLALANINE DEHYDROGENASE
formula_weight	36615.9 kDa
ec_number	1.4.1.20
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

MSIDSALNWDGEMTVTRFDKMTGAHFVIRLDSTQLGPAAGGTRAAQYSQLADALTDAGKLAGAMTLKMAVSNLPMGGGKSVIALPAPRHSIDPSTWARILRIHAENIDKLSGNYWTGPDVNTNSADMDTLNDTTEFVFGRSLERGGAGSSAFTTAVGVFEAMKATVAHRGLGSLDGLTVLVQGLGAVGGSLASLAAEAGAQLLVADTDTERVAHAVALGHTAVALEDVLSTPCDVFAPCAMGGVITTEVARTLDCSVVAGAANNVIADEAASDILHARGILYAPDFVANAGGAIHLVGREVLGWSESVVHERAVAIGDTLNQVFEISDNDGVTPDEAARTLAGRRAREASTTTATA

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	3-PHENYLPYRUVIC ACID
formula_weight	164.2 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	POTASSIUM ION
formula_weight	39.1 kDa
src_method	syn
entity_count	2

Entity 6 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	2

Entity 7 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	1

Entity 8 non-polymer

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

Entity 9 non-polymer

description	ISOPROPYL ALCOHOL
formula_weight	60.1 kDa
src_method	syn
entity_count	4

Entity 10 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	1021

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6. Citations (1)

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length_a	64.300 Å
length_b	110.200 Å
length_c	113.400 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	30.000 Å
r_factor	—
r_work	0.1950
r_free	—

fit	/app/data/saxs_computation/bw/1bw9/1bw9.fit
pddf	/app/data/pr_computation/bw/1bw9/1bw9.pr.out
profile	/app/data/saxs_computation/bw/1bw9/1bw9.dat

PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND PHENYLPYRUVATE

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 (10)

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 non-polymer

Entity 8 non-polymer

Entity 9 non-polymer

Entity 10 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)