SAXSdb — 1bgx

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1. Structure Basics

entry_id	1bgx
deposition_date	1998-06-02
title	TAQ POLYMERASE IN COMPLEX WITH TP7, AN INHIBITORY FAB
keywords	;DNA POLYMERASE, FAB, PCR, INHIBITION, HELIX-COIL DYNAMICS, INHIBITOR DESIGN, COMPLEX (POLYMERASE-INHIBITOR), COMPLEX (POLYMERASE-INHIBITOR) complex ;; COMPLEX (POLYMERASE/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	36.39 Å
rg_electron	35.76 Å
i0	291508000.00
molecular_weight	139090.0 kDa
excluded_volume	174820 Å³
envelope_volume	235570 Å³
shell_volume	54500 Å³
envelope_diameter	119.4 Å
shell_rg	42.42 Å
envelope_rg	35.46 Å
shape_rg	35.75 Å
total_rg	36.28 Å
total_atoms	9815
n_residues	1247
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	118.3 Å
rg_real	36.34 Å
rg_real_error	0.84 Å
i0_real	2.9150e+08
i0_real_error	4.3770e+06
rg_reciprocal	36.38 Å
i0_reciprocal	291500000.0000
total_estimate	0.8890
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	41.3 Å
skewness	0.300
kurtosis	-0.429
angular_range	— – 0.2150 Å⁻¹
current_alpha	0.0000
highest_alpha	59210000.0000
n_real_points	44
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.902; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.850

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	TAQ DNA POLYMERASE
formula_weight	94046.3 kDa
ec_number	2.7.7.7
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	T
atom_count	10077

MRGMLPLFEPKGRVLLVDGHHLAYRTFHALKGLTTSRGEPVQAVYGFAKSLLKALKEDGDAVIVVFDAKAPSFRHEAYGGYKAGRAPTPEDFPRQLALIKELVDLLGLARLEVPGYEADDVLASLAKKAEKEGYEVRILTADKDLYQLLSDRIHVLHPEGYLITPAWLWEKYGLRPDQWADYRALTGDESDNLPGVKGIGEKTARKLLEEWGSLEALLKNLDRLKPAIREKILAHMDDLKLSWDLAKVRTDLPLEVDFAKRREPDRERLRAFLERLEFGSLLHEFGLLESPKALEEAPWPPPEGAFVGFVLSRKEPMWADLLALAAARGGRVHRAPEPYKALRDLKEARGLLAKDLSVLALREGLGLPPGDDPMLLAYLLDPSNTTPEGVARRYGGEWTEEAGERAALSERLFANLWGRLEGEERLLWLYREVERPLSAVLAHMEATGVRLDVAYLRALSLEVAEEIARLEAEVFRLAGHPFNLNSRDQLERVLFDELGLPAIGKTEKTGKRSTSAAVLEALREAHPIVEKILQYRELTKLKSTYIDPLPDLIHPRTGRLHTRFNQTATATGRLSSSDPNLQNIPVRTPLGQRIRRAFIAEEGWLLVALDYSQIELRVLAHLSGDENLIRVFQEGRDIHTETASWMFGVPREAVDPLMRRAAKTINFGVLYGMSAHRLSQELAIPYEEAQAFIERYFQSFPKVRAWIEKTLEEGRRRGYVETLFGRRRYVPDLEARVKSVREAAERMAFNMPVQGTAADLMKLAMVKLFPRLEEMGARMLLQVHDELVLEAPKERAEAVARLAKEVMEGVYPLAVPLEVEVGIGEDWLSAKE

Source

organism	Thermus aquaticus
ncbi_taxonomy_id	271
host_organism	Escherichia coli

Entity 2 polymer

description	TP7 MAB
formula_weight	23082.5 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	L

DIQMTQSPAIMSASPGEKVTMTCSASSSVSYMYWYQQKPGSSPRLLIYDSTNLASGVPVRFSGSGSGTSYSLTISRMEAEDAATYYCQQWSTYPLTFGAGTKLELKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNR

Source

organism	Mus musculus
common_name	house mouse
ncbi_taxonomy_id	10090
host_organism	Mus musculus

Entity 3 polymer

description	TP7 MAB
formula_weight	23590.3 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	H

EVQLQESGPGLVKPYQSLSLSCTVTGYSITSDYAWNWIRQFPGNKLEWMGYITYSGTTDYNPSLKSRISITRDTSKNQFFLQLNSVTTEDTATYYCARYYYGYWYFDVWGQGTTLTVSSAKTTAPSVYPLAPVSSVTLGCLVKGYFPEPVTLTWNSGSLSSGVHTFPAVLQSDLYTLSSSVTVTSSTWPSQSITCNVAHPASSTKVDKKIEPR

Source

organism	Mus musculus
common_name	house mouse
ncbi_taxonomy_id	10090
host_organism	Mus musculus

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	262

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6. Citations (2)

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length_a	76.600 Å
length_b	89.100 Å
length_c	89.300 Å
angle_alpha	100.70 °
angle_beta	115.30 °
angle_gamma	95.30 °
z_pdb	1

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.300 Å
resolution_low	8.000 Å
r_factor	0.1890
r_work	0.1890
r_free	0.2530

fit	/app/data/saxs_computation/bg/1bgx/1bgx.fit
pddf	/app/data/pr_computation/bg/1bgx/1bgx.pr.out
profile	/app/data/saxs_computation/bg/1bgx/1bgx.dat

TAQ POLYMERASE IN COMPLEX WITH TP7, AN INHIBITORY FAB

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 (4)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 polymer

Polymer

Source

Entity 4 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)