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1bif

6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE BIFUNCTIONAL ENZYME COMPLEXED WITH ATP-G-S AND PHOSPHATE

Method: X-RAY DIFFRACTION D_max: 81.4 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bif
deposition_date	1996-11-08
title	6-PHOSPHOFRUCTO-2-KINASE/FRUCTOSE-2,6-BISPHOSPHATASE BIFUNCTIONAL ENZYME COMPLEXED WITH ATP-G-S AND PHOSPHATE
keywords	KINASE, TRANSFERASE (PHOSPHO), PHOSPHATASE, HYDROLASE (PHOSPHO), GLYCOLYSIS, BIFUNCTIONAL ENZYME; BIFUNCTIONAL ENZYME
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	26.06 Å
rg_electron	25.06 Å
i0	44862100.00
molecular_weight	50690.0 kDa
excluded_volume	62940 Å³
envelope_volume	74564 Å³
shell_volume	25343 Å³
envelope_diameter	83.2 Å
shell_rg	31.72 Å
envelope_rg	25.08 Å
shape_rg	25.07 Å
total_rg	25.77 Å
total_atoms	3554
n_residues	432
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	81.4 Å
rg_real	26.08 Å
rg_real_error	0.53 Å
i0_real	4.4860e+07
i0_real_error	6.8860e+05
rg_reciprocal	26.07 Å
i0_reciprocal	44860000.0000
total_estimate	0.9038
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	24.0 Å
skewness	0.294
kurtosis	-0.651
angular_range	— – 0.3050 Å⁻¹
current_alpha	0.0000
highest_alpha	13250000.0000
n_real_points	62
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.933; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.961; Smooth: 0.983

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	6-PHOSPHOFRUCTO-2-KINASE/ FRUCTOSE-2,6-BISPHOSPHATASE
formula_weight	54068.6 kDa
ec_number	2.7.1.105, 3.1.3.46
mutation	W15F, W64F, W299F, W320F
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3900

MASPRELTQNPLKKIFMPYSNGRPALHASQRGVCMTNCPTLIVMVGLPARGKTYISKKLTRYLNFIGVPTREFNVGQYRRDMVKTYKSFEFFLPDNEEGLKIRKQCALAALNDVRKFLSEEGGHVAVFDATNTTRERRAMIFNFGEQNGYKTFFVESICVDPEVIAANIVQVKLGSPDYVNRDSDEATEDFMRRIECYENSYESLDEEQDRDLSYIKIMDVGQSYVVNRVADHIQSRIVYYLMNIHVTPRSIYLCRHGESELNLKGRIGGDPGLSPRGREFSKHLAQFISDQNIKDLKVFTSQMKRTIQTAEALSVPYEQFKVLNEIDAGVCEEMTYEEIQDHYPLEFALRDQDKYRYRYPKGESYEDLVQRLEPVIMELERQENVLVICHQAVMRCLLAYFLDKAAEELPYLKCPLHTVLKLTPVAYGCKVESIFLNVAAVNTHRDRPQNVDISRPSEEALVTVPAHQ

Source

organism	Rattus norvegicus
common_name	Norway rat
ncbi_taxonomy_id	10116
host_organism	Escherichia coli

Entity 2 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
formula_weight	523.2 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	319

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6. Citations (1)

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length_a	83.000 Å
length_b	83.000 Å
length_c	130.600 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 31 2 1
int_tables_number	152
crystal_system	—

resolution	2.000 Å
resolution_low	6.000 Å
r_factor	0.1830
r_work	0.1830
r_free	0.2500

fit	/app/data/saxs_computation/bi/1bif/1bif.fit
pddf	/app/data/pr_computation/bi/1bif/1bif.pr.out
profile	/app/data/saxs_computation/bi/1bif/1bif.dat