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1adz

THE SOLUTION STRUCTURE OF THE SECOND KUNITZ DOMAIN OF TISSUE FACTOR PATHWAY INHIBITOR, NMR, 30 STRUCTURES

Method: SOLUTION NMR D_max: 92.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1adz
deposition_date	1997-02-19
title	THE SOLUTION STRUCTURE OF THE SECOND KUNITZ DOMAIN OF TISSUE FACTOR PATHWAY INHIBITOR, NMR, 30 STRUCTURES
keywords	HYDROLASE, INHIBITOR, COAGULATION; HYDROLASE
method	SOLUTION NMR

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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	27.92 Å
rg_electron	27.39 Å
i0	1048360000.00
molecular_weight	250420.0 kDa
excluded_volume	304770 Å³
envelope_volume	204750 Å³
shell_volume	52728 Å³
envelope_diameter	101.3 Å
shell_rg	39.85 Å
envelope_rg	30.61 Å
shape_rg	27.33 Å
total_rg	28.16 Å
total_atoms	33330
n_residues	2130
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	92.7 Å
rg_real	27.79 Å
rg_real_error	0.52 Å
i0_real	1.0480e+09
i0_real_error	1.3410e+07
rg_reciprocal	27.83 Å
i0_reciprocal	1048000000.0000
total_estimate	0.8822
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	34.2 Å
skewness	0.225
kurtosis	-0.338
angular_range	— – 0.2850 Å⁻¹
current_alpha	0.0000
highest_alpha	11960000.0000
n_real_points	58
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.832; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.969

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4. Crystallography & Experiment

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5. Entities & Polymer Info (1)

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6. Citations (7)

The second Kunitz domain of human tissue factor pathway inhibitor: cloning, structure determination and interaction with factor Xa.

J.Mol.Biol. (1997)

PMID: 9199408 · DOI: 10.1006/jmbi.1997.1029 PRIMARY

Structural Aspects of Factor Xa Inhibition

Curr.Pharm.Des. (1996)

X-Ray Structure of Active Site-Inhibited Clotting Factor Xa. Implications for Drug Design and Substrate Recognition

J.Biol.Chem. (1996)

The Ornithodorin-Thrombin Crystal Structure, a Key to the Tap Enigma?

Embo J. (1996)

;Crystal Structures of Factor Xa Specific Inhibitors in Complex with Trypsin: Structural Grounds for Inhibition of Factor Xa and Selectivity Against Thrombin ;

FEBS Lett. (1995)

Structure of Human Des(1-45) Factor Xa at 2.2 A Resolution

J.Mol.Biol. (1993)

;Determination of a High-Quality Nuclear Magnetic Resonance Solution Structure of the Bovine Pancreatic Trypsin Inhibitor and Comparison with Three Crystal Structures ;

J.Mol.Biol. (1992)

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length_a	1.000 Å
length_b	1.000 Å
length_c	1.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	1

space_group	P 1
int_tables_number	1
crystal_system	—

description	TISSUE FACTOR PATHWAY INHIBITOR
formula_weight	8379.2 kDa
mutation	N-TERMINAL INS(DYKDDDDKL)
src_method	man
entity_count	1

type	polypeptide(L)
strand_id	A
atom_count	33330

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

THE SOLUTION STRUCTURE OF THE SECOND KUNITZ DOMAIN OF TISSUE FACTOR PATHWAY INHIBITOR, NMR, 30 STRUCTURES

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

5. Entities & Polymer Info (1)

Entity 1 polymer

Polymer

Source

6. Citations (7)

7. Files & Curves (10)

Files (7)

Curves (3)

fit	/app/data/saxs_computation/ad/1adz/1adz.fit
pddf	/app/data/pr_computation/ad/1adz/1adz.pr.out
profile	/app/data/saxs_computation/ad/1adz/1adz.dat