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1bzh

Cyclic peptide inhibitor of human PTP1B

Method: X-RAY DIFFRACTION D_max: 68.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bzh
deposition_date	1998-10-28
title	Cyclic peptide inhibitor of human PTP1B
keywords	PHOSPHORYLATION-INHIBITOR COMPLEX, TYROSINE PHOSPHATASE, HYDROLASE-HYDROLASE INHIBITOR complex; HYDROLASE/HYDROLASE INHIBITOR
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	20.05 Å
rg_electron	18.91 Å
i0	22343200.00
molecular_weight	35522.0 kDa
excluded_volume	44206 Å³
envelope_volume	49392 Å³
shell_volume	21329 Å³
envelope_diameter	70.0 Å
shell_rg	25.86 Å
envelope_rg	19.37 Å
shape_rg	18.90 Å
total_rg	19.85 Å
total_atoms	2495
n_residues	302
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	68.8 Å
rg_real	19.96 Å
rg_real_error	0.42 Å
i0_real	2.2340e+07
i0_real_error	2.8580e+05
rg_reciprocal	19.98 Å
i0_reciprocal	22340000.0000
total_estimate	0.7870
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.6 Å
skewness	0.220
kurtosis	-0.325
angular_range	— – 0.3950 Å⁻¹
current_alpha	0.0000
highest_alpha	5833000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.742; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PROTEIN (PROTEIN-TYROSINE-PHOSPHATASE 1B)
formula_weight	34720.6 kDa
ec_number	3.1.3.48
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2583

MEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLDMRKFRMGLIQTAEQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHED

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	PROTEIN (PROTEIN-TYROSINE-PHOSPHATASE 1B INHIBITOR)
formula_weight	1004.9 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	I

DADEYLC

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	88

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6. Citations (2)

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length_a	39.690 Å
length_b	86.820 Å
length_c	52.000 Å
angle_alpha	90.00 °
angle_beta	96.91 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.100 Å
resolution_low	8.000 Å
r_factor	—
r_work	0.1960
r_free	0.2620

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

Cyclic peptide inhibitor of human PTP1B

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 (3)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)