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1c1x

L-PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND L-3-PHENYLLACTATE

Method: X-RAY DIFFRACTION D_max: 116.9 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1c1x
deposition_date	1999-07-22
title	L-PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND L-3-PHENYLLACTATE
keywords	AMINO ACID DEHYDROGENASE, OXIDATIVE DEAMINATION MECHANISM, OXIDOREDUCTASE; OXIDOREDUCTASE
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	36.23 Å
rg_electron	36.13 Å
i0	89824600.00
molecular_weight	73555.0 kDa
excluded_volume	90752 Å³
envelope_volume	118490 Å³
shell_volume	27162 Å³
envelope_diameter	113.4 Å
shell_rg	42.69 Å
envelope_rg	35.35 Å
shape_rg	36.11 Å
total_rg	36.60 Å
total_atoms	5151
n_residues	695
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	116.9 Å
rg_real	36.51 Å
rg_real_error	1.15 Å
i0_real	8.9820e+07
i0_real_error	1.5650e+06
rg_reciprocal	36.34 Å
i0_reciprocal	89810000.0000
total_estimate	0.7466
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	26.6 Å
skewness	0.303
kurtosis	-0.996
angular_range	— – 0.2200 Å⁻¹
current_alpha	0.0000
highest_alpha	17900000.0000
n_real_points	45
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.455; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.490; Smooth: 0.844

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4. Crystallography & Experiment

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5. Entities & Polymer Info (9)

Entity 1 polymer

description	L-PHENYLALANINE DEHYDROGENASE
formula_weight	36428.6 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	6017

SIDSALNWDGEMTVTRFDSMTGAHFVIRLDSTQLGPAAGGTRAAQYSNLADALTDAGKLAGAMTLKMAVSNLPMGGGKSVIALPAPRHSIDPSTWARILRIHAENIDKLSGNYWTGPDVNTNSADMDTLNDTTEFVFGRSLERGGAGSSAFTTAVGVFEAMKATVAHRGLGSLDGLTVLVQGLGAVGGSLASLAAEAGAQLLVADTDTERVAHAVALGHTAVALEDVLSTPCDVFAPCAMGGVITTEVARTLDCSVVAGAANNVIADEAASDILHARGILYAPDFVANAGGAIHLVGREVLGWSESVVHERAVAIGDTLNQVFEISDNDGVTPDEAARTLAGRRAREASTTTATA

Source

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

Entity 2 polymer

description	PROTEIN (L-PHENYLALANINE DEHYDROGENASE)
formula_weight	36484.8 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

SIDSALNWDGEMTVTRFDKMTGAHFVIRLDSTQLGPAAGGTRAAQYSQLADALTDAGKLAGAMTLKMAVSNLPMGGGKSVIALPAPRHSIDPSTWARILRIHAENIDKLSGNYWTGPDVNTNSADMDTLNDTTEFVFGRSLERGGAGSSAFTTAVGVFEAMKATVAHRGLGSLDGLTVLVQGLGAVGGSLASLAAEAGAQLLVADTDTERVAHAVALGHTAVALEDVLSTPCDVFAPCAMGGVITTEVARTLDCSVVAGAANNVIADEAASDILHARGILYAPDFVANAGGAIHLVGREVLGWSESVVHERAVAIGDTLNQVFEISDNDGVTPDEAARTLAGRRAREASTTTATA

Source

organism	Rhodococcus sp.
ncbi_taxonomy_id	1831

Entity 3 non-polymer

description	POTASSIUM ION
formula_weight	39.1 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	SODIUM ION
formula_weight	23.0 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID
formula_weight	166.2 kDa
src_method	syn
entity_count	2

Entity 6 non-polymer

description	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
formula_weight	663.4 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	ISOPROPYL ALCOHOL
formula_weight	60.1 kDa
src_method	syn
entity_count	3

Entity 9 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	844

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6. Citations (1)

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length_a	64.600 Å
length_b	110.400 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	1.400 Å
resolution_low	30.000 Å
r_factor	0.1830
r_work	0.1800
r_free	0.2290

fit	/app/data/saxs_computation/c1/1c1x/1c1x.fit
pddf	/app/data/pr_computation/c1/1c1x/1c1x.pr.out
profile	/app/data/saxs_computation/c1/1c1x/1c1x.dat

L-PHENYLALANINE DEHYDROGENASE STRUCTURE IN TERNARY COMPLEX WITH NAD+ AND L-3-PHENYLLACTATE

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 (9)

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 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)