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1b7x

STRUCTURE OF HUMAN ALPHA-THROMBIN Y225I MUTANT BOUND TO D-PHE-PRO-ARG-CHLOROMETHYLKETONE

Method: X-RAY DIFFRACTION D_max: 56.1 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b7x
deposition_date	1999-01-25
title	STRUCTURE OF HUMAN ALPHA-THROMBIN Y225I MUTANT BOUND TO D-PHE-PRO-ARG-CHLOROMETHYLKETONE
keywords	SERINE PROTEASE, 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	18.36 Å
rg_electron	17.24 Å
i0	15649600.00
molecular_weight	30034.0 kDa
excluded_volume	37603 Å³
envelope_volume	41829 Å³
shell_volume	19578 Å³
envelope_diameter	56.2 Å
shell_rg	24.17 Å
envelope_rg	17.55 Å
shape_rg	17.25 Å
total_rg	18.23 Å
total_atoms	2115
n_residues	275
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	56.1 Å
rg_real	18.22 Å
rg_real_error	0.20 Å
i0_real	1.5650e+07
i0_real_error	1.8120e+05
rg_reciprocal	18.24 Å
i0_reciprocal	15650000.0000
total_estimate	0.8974
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	24.2 Å
skewness	0.083
kurtosis	-0.464
angular_range	— – 0.4350 Å⁻¹
current_alpha	0.0000
highest_alpha	5841000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.902; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.973; Smooth: 0.984

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEIN (THROMBIN LIGHT CHAIN)
formula_weight	4096.5 kDa
ec_number	3.4.21.5
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2261

TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Saccharomyces cerevisiae

Entity 2 polymer

description	PROTEIN (THROMBIN HEAVY CHAIN)
formula_weight	29730.2 kDa
ec_number	3.4.21.5
mutation	Y225I
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

IVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKIGFYTHVFRLKKWIQKVIDQFGE

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Saccharomyces cerevisiae

Entity 3 polymer

description	PROTEIN (INHIBITOR)
formula_weight	419.5 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	C

FPR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Saccharomyces cerevisiae

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	146

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6. Citations (1)

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length_a	50.600 Å
length_b	73.700 Å
length_c	89.900 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.100 Å
resolution_low	6.000 Å
r_factor	0.2260
r_work	0.2260
r_free	0.2820

fit	/app/data/saxs_computation/b7/1b7x/1b7x.fit
pddf	/app/data/pr_computation/b7/1b7x/1b7x.pr.out
profile	/app/data/saxs_computation/b7/1b7x/1b7x.dat

STRUCTURE OF HUMAN ALPHA-THROMBIN Y225I MUTANT BOUND TO D-PHE-PRO-ARG-CHLOROMETHYLKETONE

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 (1)

7. Files & Curves (10)

Files (7)

Curves (3)