← Back to search

1aax

CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH TWO BIS(PARA-PHOSPHOPHENYL)METHANE (BPPM) MOLECULES

Method: X-RAY DIFFRACTION D_max: 64.9 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1aax
deposition_date	1997-01-16
title	CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH TWO BIS(PARA-PHOSPHOPHENYL)METHANE (BPPM) MOLECULES
keywords	COMPLEX (HYDROLASE-INHIBITOR), HYDROLASE, PHOSPHORYLATION, NON-PEPTIDE INHIBITOR; HYDROLASE
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	20.11 Å
rg_electron	18.94 Å
i0	21562400.00
molecular_weight	34887.0 kDa
excluded_volume	43441 Å³
envelope_volume	49235 Å³
shell_volume	21283 Å³
envelope_diameter	66.3 Å
shell_rg	25.74 Å
envelope_rg	19.33 Å
shape_rg	18.92 Å
total_rg	19.89 Å
total_atoms	2450
n_residues	297
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

▼

3. P(r) Analysis (GNOM)

dmax	64.9 Å
rg_real	20.01 Å
rg_real_error	0.30 Å
i0_real	2.1560e+07
i0_real_error	2.5540e+05
rg_reciprocal	20.03 Å
i0_reciprocal	21560000.0000
total_estimate	0.7172
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	25.0 Å
skewness	0.212
kurtosis	-0.340
angular_range	— – 0.3950 Å⁻¹
current_alpha	0.0000
highest_alpha	4956000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.853; Stabil: 1.000; Sysdev: 0.260; Positv: 1.000; Valcen: 0.993; Smooth: 0.988

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN TYROSINE PHOSPHATASE 1B
formula_weight	37277.5 kDa
ec_number	3.1.3.48
mutation	C215S
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2706

MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHSSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLEPPPGHIPPPPRPPKRILEPHN

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

Entity 2 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN
formula_weight	360.2 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	233

▶

6. Citations (4)

▶

length_a	88.369 Å
length_b	88.369 Å
length_c	104.532 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	1.900 Å
resolution_low	22.000 Å
r_factor	0.1820
r_work	0.1820
r_free	—

fit	/app/data/saxs_computation/aa/1aax/1aax.fit
pddf	/app/data/pr_computation/aa/1aax/1aax.pr.out
profile	/app/data/saxs_computation/aa/1aax/1aax.dat

CRYSTAL STRUCTURE OF PROTEIN TYROSINE PHOSPHATASE 1B COMPLEXED WITH TWO BIS(PARA-PHOSPHOPHENYL)METHANE (BPPM) MOLECULES

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