← Back to search

1awh

NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT

Method: X-RAY DIFFRACTION D_max: 97.3 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1awh
deposition_date	1997-10-02
title	NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT
keywords	PROTEINASE, BLOOD COAGULATION, TRYPSIN LIKE PROTEINASE, COMPLEX (PROTEASE-INHIBITOR), COMPLEX (PROTEASE-INHIBITOR) complex; COMPLEX (PROTEASE/INHIBITOR)
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	28.35 Å
rg_electron	27.73 Å
i0	75955800.00
molecular_weight	68749.0 kDa
excluded_volume	86249 Å³
envelope_volume	103530 Å³
shell_volume	31561 Å³
envelope_diameter	100.3 Å
shell_rg	34.48 Å
envelope_rg	27.75 Å
shape_rg	27.73 Å
total_rg	28.45 Å
total_atoms	4838
n_residues	590
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	97.3 Å
rg_real	28.46 Å
rg_real_error	0.65 Å
i0_real	7.5960e+07
i0_real_error	9.8450e+05
rg_reciprocal	28.43 Å
i0_reciprocal	75950000.0000
total_estimate	0.6765
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	27.8 Å
skewness	0.410
kurtosis	-0.491
angular_range	— – 0.2800 Å⁻¹
current_alpha	0.0000
highest_alpha	59140000.0000
n_real_points	57
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.733; Stabil: 1.000; Sysdev: 0.242; Positv: 1.000; Valcen: 0.884; Smooth: 0.978

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	ALPHA THROMBIN
formula_weight	4096.5 kDa
ec_number	3.4.21.5
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,C
atom_count	4840

TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR

Entity 2 polymer

description	ALPHA THROMBIN
formula_weight	29780.2 kDa
ec_number	3.4.21.5
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,D

IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE

Entity 3 non-polymer

description	;3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14-TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID ;
formula_weight	542.7 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	2

▶

6. Citations (1)

▶

length_a	65.600 Å
length_b	102.800 Å
length_c	119.700 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	3.000 Å
resolution_low	10.000 Å
r_factor	0.2020
r_work	0.2020
r_free	—

fit	/app/data/saxs_computation/aw/1awh/1awh.fit
pddf	/app/data/pr_computation/aw/1awh/1awh.pr.out
profile	/app/data/saxs_computation/aw/1awh/1awh.dat

NOVEL COVALENT THROMBIN INHIBITOR FROM PLANT EXTRACT

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

Entity 2 polymer

Polymer

Entity 3 non-polymer

Entity 4 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)