SAXSdb — 1ecy

▼

1. Protein Identity and Related Structures Protein Identity & Related Structures

ECOTIN

Escherichia coli

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Other combination Homooligomer Protein × 2 其他Polymer 26 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 21–162	Not recorded	alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose × 16 alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose × 10 GLC alpha-D-glucopyranose × 8 BGC beta-D-glucopyranose × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed experimental conditions	Resolution 2.19 Å R-free 0.319

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB	Difference from Current Entry 1ECY	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1AZZ FIDDLER CRAB COLLAGENASE COMPLEXED TO ECOTIN Deposited 1997-11-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 21–162（142 aa） Chain D 21–162（142 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.30 Å R-free 0.238
1ECZ PROTEASE INHIBITOR ECOTIN Deposited 1996-08-06	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 21–162（142 aa） Chain B 21–162（142 aa）	Not recorded	BOG octyl beta-D-glucopyranoside × 21	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.68 Å R-free 0.309
1EZS CRYSTAL STRUCTURE OF ECOTIN MUTANT M84R, W67A, G68A, Y69A, D70A BOUND TO RAT ANIONIC TRYPSIN II Deposited 2000-05-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 21–162（142 aa） Chain B 21–162（142 aa）	Mutation：M84R, W67A, G68A, Y69A, D70A Mutation：M84R, W67A, G68A, Y69A, D70A	CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；291 K；protein: 15mg/ml complex in 10mM Tris pH 8.0 well: 0.15M Sodium Cacodylate, 0.3M Sodium Acetate, 14% Peg 4K, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 2.30 Å R-free 0.235
1EZU ECOTIN Y69F, D70P BOUND TO D102N TRYPSIN Deposited 2000-05-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 21–162（142 aa） Chain B 21–162（142 aa）	Mutation：Y69F, D70P Mutation：Y69F, D70P	CA CALCIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；protein: 15mg/ml in 10mM Tris pH 8.0 well: 16.5% Peg 4k, 0.15 M Sodium Cacodylate, 0.3M Sodium Acetate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K	Resolution 2.40 Å R-free 0.265
1FI8 RAT GRANZYME B [N66Q] COMPLEXED TO ECOTIN [81-84 IEPD] Deposited 2000-08-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain C 21–100（80 aa） Fragment：RESIDUES 28 - 111 Chain D 105–162（58 aa） Fragment：RESIDUES 112 - 169 Chain E 21–100（80 aa） Fragment：RESIDUES 28 - 111 Chain F 105–162（58 aa） Fragment：RESIDUES 112 - 169	Mutation：V81I, S82E, T83P, M84D Mutation：V81I, S82E, T83P, M84D	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.8；298 K；sodium acetate, PEGmme 2000, ammonium acetate,, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.20 Å R-free 0.252
1ID5 CRYSTAL STRUCTURE OF BOVINE THROMBIN COMPLEX WITH PROTEASE INHIBITOR ECOTIN Deposited 2001-04-03	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain I 21–162（142 aa）	Mutation：M84R	CA CALCIUM ION × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；298 K；PEG6K, Citric Acid, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.50 Å R-free 0.264
1IFG CRYSTAL STRUCTURE OF A MONOMERIC FORM OF GENERAL PROTEASE INHIBITOR, ECOTIN IN ABSENCE OF A PROTEASE Deposited 2001-04-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 26–162（137 aa） Fragment：RESIDUES 26-162 OF ECOTIN PRECURSOR	Mutation：INSERTION AFTER TRP130 THE SEQUENCE OF ALA-ASP-GLY	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；PEG 4000, glycerol, Tris, Sodium Acetate, pH 8.0, VAPOR DIFFUSION, HANGING DROP at 298K	Resolution 2.00 Å R-free 0.267
1N8O Crystal structure of a complex between bovine chymotrypsin and ecotin Deposited 2002-11-21	Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain E 21–162（142 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；293 K；Ammonium sulfate 1.3M, Sodium Acetate 0.1M, 1% PEG 200, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.00 Å
1P0S Crystal Structure of Blood Coagulation Factor Xa in Complex with Ecotin M84R Deposited 2003-04-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain E 21–162（142 aa） Fragment：Ecotin	Mutation：M84R	MG MAGNESIUM ION × 8 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.1；298 K；PEG 3350, sodium potassium tartrate, sodium chloride, magnesium chloride, glycerol, MPD , pH 7.1, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 2.80 Å R-free 0.234
1SLU RAT ANIONIC N143H, E151H TRYPSIN COMPLEXED TO A86H ECOTIN Deposited 1996-02-07	Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 21–162（142 aa）	Mutation：CHAIN A, A86H	CA CALCIUM ION × 2 ACT ACETATE ION × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.80 Å R-free 0.285
1SLV RAT ANIONIC N143H, E151H TRYPSIN COMPLEXED TO A86H ECOTIN; COPPER-BOUND Deposited 1996-02-07	Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 21–162（142 aa）	Mutation：CHAIN A, A86H	CA CALCIUM ION × 2 ACT ACETATE ION × 2 CU COPPER (II) ION × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.30 Å R-free 0.278
1SLW RAT ANIONIC N143H, E151H TRYPSIN COMPLEXED TO A86H ECOTIN; NICKEL-BOUND Deposited 1996-02-07	Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 21–162（142 aa）	Mutation：CHAIN A, A86H	CA CALCIUM ION × 2 ACT ACETATE ION × 2 NI NICKEL (II) ION × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.00 Å R-free 0.253
1SLX RAT ANIONIC N143H, E151H TRYPSIN COMPLEXED TO A86H ECOTIN; ZINC-BOUND Deposited 1996-02-07	Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 21–162（142 aa）	Mutation：CHAIN A, A86H	CA CALCIUM ION × 2 ACT ACETATE ION × 2 ZN ZINC ION × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.20 Å R-free 0.267
1XX9 Crystal Structure of the FXIa Catalytic Domain in Complex with EcotinM84R Deposited 2004-11-04	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 21–162（142 aa） Chain D 21–162（142 aa）	Mutation：M84R Mutation：M84R	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；PEG 1000, NaCl, Na/K phosphate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.20 Å R-free 0.285
1XXD Crystal Structure of the FXIa Catalytic Domain in Complex with mutated Ecotin Deposited 2004-11-04	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 21–162（142 aa） Chain D 21–162（142 aa）	Mutation：P80N, V81D, S82F, M84R, M85V, A86V Mutation：P80N, V81D, S82F, M84R, M85V, A86V	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.3；293 K；PEG-MME 2000, Ammonium Sulfate, Sodium Cacodylate, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.91 Å R-free 0.282
1XXF Crystal Structure of the FXIa Catalytic Domain in Complex with Ecotin Mutant (EcotinP) Deposited 2004-11-04	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 21–162（142 aa） Chain D 21–162（142 aa）	Mutation：V81D, S82F, M84R, M85V, A86V Mutation：V81D, S82F, M84R, M85V, A86V	NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；PEG-MME 2000, Ammonium Sulfate, Sodium Cacodylate, methanol, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.60 Å R-free 0.284
4IW4 Crystal structure of the serine protease domain of MASP-3 in complex with ecotin Deposited 2013-01-23	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 21–162（142 aa） Chain D 21–162（142 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.7；298 K；20% PEG2000MME, 0.2M ammonium sulfate, 0.1M sodium acetate pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K	Resolution 3.20 Å R-free 0.269
4IW4 Crystal structure of the serine protease domain of MASP-3 in complex with ecotin Deposited 2013-01-23	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain C 21–162（142 aa） Chain D 21–162（142 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.7；298 K；20% PEG2000MME, 0.2M ammonium sulfate, 0.1M sodium acetate pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K	Resolution 3.20 Å R-free 0.269
4NIY Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) complexed to YRH-ecotin (M84Y/M85R/A86H ecotin) Deposited 2013-11-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 21–162（142 aa） Fragment：UNP residues 21-162	Mutation：M84Y, M85R, A86H	CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.3 M sodium acetate, 0.1 M Tris/HCl, 10 mM CaCl2, 20% (w/v) polyethyleneglycol 4000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.84 Å R-free 0.252
4NIY Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) complexed to YRH-ecotin (M84Y/M85R/A86H ecotin) Deposited 2013-11-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain F 21–162（142 aa） Fragment：UNP residues 21-162	Mutation：M84Y, M85R, A86H	CA CALCIUM ION × 1 ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.3 M sodium acetate, 0.1 M Tris/HCl, 10 mM CaCl2, 20% (w/v) polyethyleneglycol 4000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.84 Å R-free 0.252
4NIY Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) complexed to YRH-ecotin (M84Y/M85R/A86H ecotin) Deposited 2013-11-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain G 21–162（142 aa） Fragment：UNP residues 21-162	Mutation：M84Y, M85R, A86H	CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.3 M sodium acetate, 0.1 M Tris/HCl, 10 mM CaCl2, 20% (w/v) polyethyleneglycol 4000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.84 Å R-free 0.252
4NIY Crystal structure of trypsiligase (K60E/N143H/Y151H/D189K trypsin) complexed to YRH-ecotin (M84Y/M85R/A86H ecotin) Deposited 2013-11-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain H 21–162（142 aa） Fragment：UNP residues 21-162	Mutation：M84Y, M85R, A86H	CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.3 M sodium acetate, 0.1 M Tris/HCl, 10 mM CaCl2, 20% (w/v) polyethyleneglycol 4000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.84 Å R-free 0.252
7CBK Structure of Human Neutrophil Elastase Ecotin complex Deposited 2020-06-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 1–162（162 aa） Chain C 1–162（162 aa）	Not recorded	GOL GLYCEROL × 1 SO4 SULFATE ION × 2 MG MAGNESIUM ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M Ammonium sulfate, 0.1 M BIS-TRIS pH 5.5 and 25% w/v Polyethylene glycol 3,350	Resolution 2.70 Å R-free 0.266
7PQN Catalytic fragment of MASP-2 in complex with ecotin Deposited 2021-09-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain C 1–162（162 aa） Chain D 1–162（162 aa）	Not recorded	GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；17% (w/v) PEG 3350, 0.3M LiCl	Resolution 2.40 Å R-free 0.233
7PQO Catalytic fragment of MASP-1 in complex with P1 site mutant ecotin Deposited 2021-09-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain K 1–162（162 aa）	Mutation：M84R	GOL GLYCEROL × 4 NA SODIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；3.7M NaCl, 0.1M HEPES, pH 7.0	Resolution 3.39 Å R-free 0.297
7PQO Catalytic fragment of MASP-1 in complex with P1 site mutant ecotin Deposited 2021-09-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain I 1–162（162 aa） Chain J 1–162（162 aa）	Mutation：M84R Mutation：M84R	GOL GLYCEROL × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；3.7M NaCl, 0.1M HEPES, pH 7.0	Resolution 3.39 Å R-free 0.297

21 other PDB entries and 26 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	ECOT_ECOLI
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–142； UniProt 21–162

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

▼

2. Structure Basics 2. Structure Basics

Entry ID entry_id	1ecy
Deposition date deposition_date	1996-08-06
Structure title title	PROTEASE INHIBITOR ECOTIN
Keywords keywords	BETA-SHEET STRUCTURE, SERINE PROTEASE INHIBITOR, PERIPLASMIC, PROTEASE INHIBITOR; PROTEASE INHIBITOR
Experimental Method method	X-RAY DIFFRACTION

▼

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	22.31 Å
Radius of gyration Rg (electron density) rg_electron	21.14 Å
Forward intensity I(0) i0	8957970.00
Molecular weight molecular_weight	21445.0 kDa
Excluded volume excluded_volume	26793 Å³
Envelope volume envelope_volume	39585 Å³
Hydration-shell volume shell_volume	16700 Å³
Envelope diameter envelope_diameter	78.9 Å
Shell Rg shell_rg	26.37 Å
Envelope Rg envelope_rg	22.03 Å
Shape Rg shape_rg	21.02 Å
Total Rg total_rg	22.40 Å
Total atoms total_atoms	1489
Residues n_residues	142
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

▼

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	77.3 Å
Rg (real space) rg_real	22.36 Å
Rg uncertainty (real space) rg_real_error	0.60 Å
I(0) (real space) i0_real	8.9580e+06
I(0) uncertainty (real space) i0_real_error	1.2100e+05
Rg (reciprocal space) rg_reciprocal	22.35 Å
I(0) (reciprocal space) i0_reciprocal	8958000.0000
Solution quality estimate total_estimate	0.8666
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	22.2 Å
Skewness Skewness skewness	0.376
Kurtosis Kurtosis kurtosis	-0.387
Angular range angular_range	— – 0.3550 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	1880000.0000
Real-space data points n_real_points	67
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.799; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.922; Smooth: 0.943

▶

5. Crystallography and Experiment 5. Crystallography & Experiment

▶

6. Entities and Polymers Entities & Polymers (6)

Entity 1 Entity 1 polymer

Description description	ECOTIN
Molecular weight formula_weight	16120.5 kDa
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	1569

AESVQPLEKIAPYPQAEKGMKRQVIQLTPQEDESTLKVELLIGQTLEVDCNLHRLGGKLENKTLEGWGYDYYVFDKVSSPVSTMMACPDGKKEKKFVTAYLGDAGMLRYNSKLPIVVYTPDNVDVKYRVWKAEEKIDNAVVR

来源 Source

来源生物 organism	Escherichia coli
NCBI Class编号 ncbi_taxonomy_id	562
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 branched

Description description	alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
Molecular weight formula_weight	342.3 kDa
Source method src_method	man
Copy count entity_count	8

Entity 3 Entity 3 branched

Description description	alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
Molecular weight formula_weight	342.3 kDa
Source method src_method	man
Copy count entity_count	5

Entity 4 Entity 4 non-polymer

Description description	alpha-D-glucopyranose
Molecular weight formula_weight	180.2 kDa
Source method src_method	man
Copy count entity_count	4

Entity 5 Entity 5 non-polymer

Description description	beta-D-glucopyranose
Molecular weight formula_weight	180.2 kDa
Source method src_method	man
Copy count entity_count	1

Entity 6 Entity 6 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	80

▼

7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_id	d1ecya_
Class class	b — All beta proteins
Fold Fold fold	b.16 — Ecotin, trypsin inhibitor
Superfamily Superfamily superfamily	b.16.1 — Ecotin, trypsin inhibitor
Family Family family	b.16.1.1 — Ecotin, trypsin inhibitor

CATH v4.4 (1 domains)

Domain ID domain_id	1ecyA00
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	550 — Ecotin

▶

8. Citations (2)

▶

Unit-cell length a length_a	63.320 Å
Unit-cell length b length_b	63.320 Å
Unit-cell length c length_c	84.130 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	8

Space group space_group	P 43 21 2
Space-group number int_tables_number	96
Crystal system crystal_system	—

Resolution resolution	2.190 Å
Low-resolution limit resolution_low	6.000 Å
R factor r_factor	0.2130
R_work r_work	0.2130
R_free r_free	0.3190

fit	/app/data/saxs_computation/ec/1ecy/1ecy.fit
pddf	/app/data/pr_computation/ec/1ecy/1ecy.pr.out
profile	/app/data/saxs_computation/ec/1ecy/1ecy.dat

PROTEASE INHIBITOR ECOTIN