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1a7c

HUMAN PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 IN COMPLEX WITH A PENTAPEPTIDE

Method: X-RAY DIFFRACTION D_max: 71.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a7c
deposition_date	1998-03-12
title	HUMAN PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 IN COMPLEX WITH A PENTAPEPTIDE
keywords	;SERINE PROTEASE INHIBITOR, PAI-1, CARBOHYDRATE, INHIBITOR COMPLEX, PROTEASE INHIBITOR-PEPTIDE COMPLEX, HYDROLASE INHIBITOR-PEPTIDE complex ;; HYDROLASE INHIBITOR/PEPTIDE
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	22.55 Å
rg_electron	21.38 Å
i0	30352900.00
molecular_weight	43005.0 kDa
excluded_volume	54112 Å³
envelope_volume	61965 Å³
shell_volume	24131 Å³
envelope_diameter	76.0 Å
shell_rg	28.25 Å
envelope_rg	21.57 Å
shape_rg	21.38 Å
total_rg	22.23 Å
total_atoms	3029
n_residues	374
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	71.9 Å
rg_real	22.49 Å
rg_real_error	0.34 Å
i0_real	3.0350e+07
i0_real_error	3.5270e+05
rg_reciprocal	22.51 Å
i0_reciprocal	30350000.0000
total_estimate	0.8921
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.2 Å
skewness	0.300
kurtosis	-0.352
angular_range	— – 0.3500 Å⁻¹
current_alpha	0.0000
highest_alpha	6702000.0000
n_real_points	67
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.875; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.971

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	PLASMINOGEN ACTIVATOR INHIBITOR TYPE 1
formula_weight	42877.1 kDa
mutation	A335E
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3098

VHHPPSYVAHLASDFGVRVFQQVAQASKDRNVVFSPYGVASVLAMLQLTTGGETQQQIQAAMGFKIDDKGMAPALRHLYKELMGPWNKDEISTTDAIFVQRDLKLVQGFMPHFFRLFRSTVKQVDFSEVERARFIINDWVKTHTKGMISNLLGKGAVDQLTRLVLVNALYFNGQWKTPFPDSSTHRRLFHKSDGSTVSVPMMAQTNKFNYTEFTTPDGHYYDILELPYHGDTLSMFIAAPYEKEVPLSALTNILSAQLISHWKGNMTRLPRLLVLPKFSLETEVDLRKPLENLGMTDMFRQFQADFTSLSDQEPLHVAQALQKVKIEVNESGTVESSSTAVIVSARMAPEEIIMDRPFLFVVRHNPTGTVLFMGQVMEP

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Cricetulus griseus

Entity 2 polymer

description	PENTAPEPTIDE
formula_weight	487.5 kDa
src_method	syn
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,C

XTVASSX

Entity 3 branched

description	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-ribopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	556.5 kDa
src_method	man
entity_count	1

Entity 4 non-polymer

description	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	man
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	69

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6. Citations (1)

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length_a	63.120 Å
length_b	83.370 Å
length_c	101.780 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	1.950 Å
resolution_low	38.600 Å
r_factor	0.1810
r_work	0.1810
r_free	0.2100

fit	/app/data/saxs_computation/a7/1a7c/1a7c.fit
pddf	/app/data/pr_computation/a7/1a7c/1a7c.pr.out
profile	/app/data/saxs_computation/a7/1a7c/1a7c.dat

HUMAN PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 IN COMPLEX WITH A PENTAPEPTIDE

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 (5)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Entity 3 branched

Entity 4 non-polymer

Entity 5 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)