← Back to search

1bth

STRUCTURE OF THROMBIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR

Method: X-RAY DIFFRACTION D_max: 107.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1bth
deposition_date	1996-12-03
title	STRUCTURE OF THROMBIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR
keywords	;THROMBIN INHIBITOR, SERINE PROTEINASE KUNITZ-LIKE INHIBITOR, (SERINE PROTEASE/INHIBITOR), COMPLEX (SERINE PROTEASE-INHIBITOR) COMPLEX ;; COMPLEX (SERINE PROTEASE/INHIBITOR)
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	33.98 Å
rg_electron	33.73 Å
i0	96985800.00
molecular_weight	78455.0 kDa
excluded_volume	97983 Å³
envelope_volume	125920 Å³
shell_volume	30971 Å³
envelope_diameter	105.0 Å
shell_rg	40.67 Å
envelope_rg	32.99 Å
shape_rg	33.73 Å
total_rg	34.25 Å
total_atoms	5808
n_residues	686
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	107.0 Å
rg_real	34.08 Å
rg_real_error	0.85 Å
i0_real	9.6990e+07
i0_real_error	1.6280e+06
rg_reciprocal	34.02 Å
i0_reciprocal	96980000.0000
total_estimate	0.7667
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.3 Å
skewness	0.246
kurtosis	-0.925
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	21910000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.740; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.745; Smooth: 0.000

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	THROMBIN
formula_weight	4096.5 kDa
ec_number	3.4.21.5
mutation	E192Q
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	L,J
atom_count	5921

TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR

Source

organism	Bos taurus
common_name	cattle
ncbi_taxonomy_id	9913
host_organism	Mesocricetus auratus

Entity 2 polymer

description	THROMBIN
formula_weight	29809.3 kDa
ec_number	3.4.21.5
mutation	E192Q
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	H,K

IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTTNVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACQGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGE

Source

organism	Bos taurus
common_name	cattle
ncbi_taxonomy_id	9913
host_organism	Mesocricetus auratus

Entity 3 polymer

description	BOVINE PANCREATIC TRYPSIN INHIBITOR
formula_weight	6527.6 kDa
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	P,Q

RPDFCLEPPYTGPCKARIIRYFYNAKAGLCQTFVYGGCRAKRNNFKSAEDCMRTCGGA

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	113

▶

6. Citations (4)

▶

length_a	71.200 Å
length_b	74.500 Å
length_c	83.400 Å
angle_alpha	90.00 °
angle_beta	92.50 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.300 Å
resolution_low	6.000 Å
r_factor	0.1960
r_work	0.1960
r_free	0.2710

fit	/app/data/saxs_computation/bt/1bth/1bth.fit
pddf	/app/data/pr_computation/bt/1bth/1bth.pr.out
profile	/app/data/saxs_computation/bt/1bth/1bth.dat

STRUCTURE OF THROMBIN COMPLEXED WITH BOVINE PANCREATIC TRYPSIN INHIBITOR

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

5. Entities & Polymer Info (4)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 polymer

Polymer

Entity 4 water

6. Citations (4)

7. Files & Curves (10)

Files (7)

Curves (3)