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1bzc

HUMAN PTP1B CATALYTIC DOMAIN COMPLEXED WITH TPI

Method: X-RAY DIFFRACTION D_max: 70.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bzc
deposition_date	1998-10-27
title	HUMAN PTP1B CATALYTIC DOMAIN COMPLEXED WITH TPI
keywords	HYDROLASE(PHOSPHORYLATION), TYROSINE PHOSPHATASE, INHIBITOR COMPLEX, HYDROLASE; HYDROLASE
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	20.04 Å
rg_electron	18.92 Å
i0	21589600.00
molecular_weight	34949.0 kDa
excluded_volume	43528 Å³
envelope_volume	48724 Å³
shell_volume	21104 Å³
envelope_diameter	70.2 Å
shell_rg	25.82 Å
envelope_rg	19.36 Å
shape_rg	18.91 Å
total_rg	19.87 Å
total_atoms	2455
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

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3. P(r) Analysis (GNOM)

dmax	70.0 Å
rg_real	19.95 Å
rg_real_error	0.63 Å
i0_real	2.1590e+07
i0_real_error	2.8130e+05
rg_reciprocal	19.97 Å
i0_reciprocal	21590000.0000
total_estimate	0.8562
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.0 Å
skewness	0.232
kurtosis	-0.305
angular_range	— – 0.3950 Å⁻¹
current_alpha	0.0000
highest_alpha	5121000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.711; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.996

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PROTEIN (PROTEIN-TYROSINE-PHOSPHATASE)
formula_weight	37365.6 kDa
ec_number	3.1.3.48
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2612

MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLDMRKFRMGLIQTAEQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHEDLEPPPEHIPPPPRPPKRILEPHN

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	4-CARBAMOYL-4-{[6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBONYL]-AMINO}-BUTYRIC ACID
formula_weight	430.3 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	157

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6. Citations (2)

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length_a	88.470 Å
length_b	88.470 Å
length_c	104.620 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	2.350 Å
resolution_low	14.000 Å
r_factor	—
r_work	0.2040
r_free	0.2560

fit	/app/data/saxs_computation/bz/1bzc/1bzc.fit
pddf	/app/data/pr_computation/bz/1bzc/1bzc.pr.out
profile	/app/data/saxs_computation/bz/1bzc/1bzc.dat

HUMAN PTP1B CATALYTIC DOMAIN COMPLEXED WITH TPI

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