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1a0h

;THE X-RAY CRYSTAL STRUCTURE OF PPACK-MEIZOTHROMBIN DESF1: KRINGLE/THROMBIN AND CARBOHYDRATE/KRINGLE/THROMBIN INTERACTIONS AND LOCATION OF THE LINKER CHAIN ;

Method: X-RAY DIFFRACTION D_max: 98.5 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a0h
deposition_date	1997-11-30
title	;THE X-RAY CRYSTAL STRUCTURE OF PPACK-MEIZOTHROMBIN DESF1: KRINGLE/THROMBIN AND CARBOHYDRATE/KRINGLE/THROMBIN INTERACTIONS AND LOCATION OF THE LINKER CHAIN ;
keywords	SERINE PROTEASE, COAGULATION, THROMBIN, PROTHROMBIN, MEIZOTHROMBIN, 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	30.81 Å
rg_electron	30.46 Å
i0	290444000.00
molecular_weight	90125.0 kDa
excluded_volume	86517 Å³
envelope_volume	147050 Å³
shell_volume	40257 Å³
envelope_diameter	103.9 Å
shell_rg	37.53 Å
envelope_rg	30.55 Å
shape_rg	30.49 Å
total_rg	30.84 Å
total_atoms	6814
n_residues	836
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	98.5 Å
rg_real	30.89 Å
rg_real_error	0.64 Å
i0_real	2.9040e+08
i0_real_error	4.4550e+06
rg_reciprocal	30.86 Å
i0_reciprocal	290400000.0000
total_estimate	0.8722
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	32.8 Å
skewness	0.443
kurtosis	-0.350
angular_range	— – 0.2550 Å⁻¹
current_alpha	0.0000
highest_alpha	60520000.0000
n_real_points	52
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.876; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.976; Smooth: 0.732

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	MEIZOTHROMBIN
formula_weight	17868.3 kDa
ec_number	3.4.21.5
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,D
atom_count	6901

SPLLETCVPDRGREYRGRLAVTTHGSRCLAWSSEQAKALSKDQDFNPAVPLAENFCRNPDGDEEGAWCYVADQPGDFEYCDLNYCEEPVDGDLGDRLGEDPDPDAAIEGRTSEDHFQPFFNEKTFGAGEADCGLRPLFEKKQVQDQTEKELFESYIEGR

Entity 2 polymer

description	MEIZOTHROMBIN
formula_weight	29772.4 kDa
ec_number	3.4.21.5
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	B,E

IVEGQDAEVGLSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTVDDLLVRIGKHSRTRYERKVEKISMLDKIYIHPRYNWKENLDRDIALLKLKRPIELSDYIHPVCLPDKQTAAKLLHAGFKGRVTGWGNRRETWTTSVAEVQPSVLQVVNLPLVERPVCKASTRIRITDNMFCAGYKPGEGKRGDACEGDSGGPFVMKSPYNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDRLGS

Entity 3 branched

description	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	424.4 kDa
src_method	man
entity_count	2

Entity 4 non-polymer

description	D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
formula_weight	454.0 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	87

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6. Citations (1)

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length_a	186.150 Å
length_b	186.150 Å
length_c	120.290 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	3.200 Å
resolution_low	7.000 Å
r_factor	0.2050
r_work	0.2050
r_free	0.2420

fit	/app/data/saxs_computation/a0/1a0h/1a0h.fit
pddf	/app/data/pr_computation/a0/1a0h/1a0h.pr.out
profile	/app/data/saxs_computation/a0/1a0h/1a0h.dat

;THE X-RAY CRYSTAL STRUCTURE OF PPACK-MEIZOTHROMBIN DESF1: KRINGLE/THROMBIN AND CARBOHYDRATE/KRINGLE/THROMBIN INTERACTIONS AND LOCATION OF THE LINKER CHAIN ;

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

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)