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3hki

Crystal structure of murine thrombin mutant W215A/E217A in complex with the extracellular fragment of human PAR1

Method: X-RAY DIFFRACTION Dmax: 93.0 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Thrombin light chain

Mus musculus

UniProt P19221

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain A； UniProt 317–360 Chain B； UniProt 361–618 Fragment：Light chain: UNP residues 317-360 Fragment：Heavy chain: UNP residues 361-618 Mutation：W215A, E217A Proteinase-activated receptor 1 × 1 （P25116） NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；100mM Tris-HCl pH 8.5, 20% PEG 10000, VAPOR DIFFUSION, HANGING DROP, temperature 295K Resolution 2.20 Å R-free 0.261
2 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain D； UniProt 317–360 Chain E； UniProt 361–618 Fragment：Light chain: UNP residues 317-360 Fragment：Heavy chain: UNP residues 361-618 Mutation：W215A, E217A Proteinase-activated receptor 1 × 1 （P25116） NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；100mM Tris-HCl pH 8.5, 20% PEG 10000, VAPOR DIFFUSION, HANGING DROP, temperature 295K Resolution 2.20 Å R-free 0.261

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 3HKI Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
2OCV Structural basis of Na+ activation mimicry in murine thrombin Deposited 2006-12-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 319–360（42 aa）
Chain B 361–618（258 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；295 K；25% PEG 2000 MME, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K, pH 6.50
Resolution 2.20 Å R-free 0.246
2OCV Structural basis of Na+ activation mimicry in murine thrombin Deposited 2006-12-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Homooligomer；Protein × 4 PDB declaration: tetrameric
Chain A 319–360（42 aa）
Chain B 361–618（258 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；295 K；25% PEG 2000 MME, 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K, pH 6.50
Resolution 2.20 Å R-free 0.246
2PUX Crystal structure of murine thrombin in complex with the extracellular fragment of murine PAR3 Deposited 2007-05-09 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 317–360（44 aa）
Chain B 361–618（258 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；20% PEG 10000, 100 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.00 Å R-free 0.225
2PV9 Crystal structure of murine thrombin in complex with the extracellular fragment of murine PAR4 Deposited 2007-05-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 317–360（44 aa）
Chain B 361–618（258 aa）
Mutation：S195A NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.9；295 K；20% PEG 3350, 200 mM MgSO4, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 3.50 Å R-free 0.319
2PV9 Crystal structure of murine thrombin in complex with the extracellular fragment of murine PAR4 Deposited 2007-05-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain A 317–360（44 aa）
Chain B 361–618（258 aa）
Mutation：S195A NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.9；295 K；20% PEG 3350, 200 mM MgSO4, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 3.50 Å R-free 0.319
3EDX Crystal structure of the W215A/E217A mutant of murine thrombin Deposited 2008-09-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 317–360（44 aa）
Chain B 361–618（258 aa）
Mutation：W215A, E217A SO4 SULFATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；295 K；0.2M NA2SO4, 20 % PEG 3350, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.40 Å R-free 0.243
3EDX Crystal structure of the W215A/E217A mutant of murine thrombin Deposited 2008-09-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 317–360（44 aa）
Chain D 361–618（258 aa）
Mutation：W215A, E217A SO4 SULFATE ION × 3 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；295 K；0.2M NA2SO4, 20 % PEG 3350, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.40 Å R-free 0.243
3EDX Crystal structure of the W215A/E217A mutant of murine thrombin Deposited 2008-09-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 317–360（44 aa）
Chain F 361–618（258 aa）
Mutation：W215A, E217A SO4 SULFATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.6；295 K；0.2M NA2SO4, 20 % PEG 3350, pH 6.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.40 Å R-free 0.243
3HK3 Crystal structure of murine thrombin mutant W215A/E217A (one molecule in the asymmetric unit) Deposited 2009-05-22 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 317–360（44 aa） Fragment：Light chain: UNP residues 317-360
Chain B 361–618（258 aa） Fragment：Heavy chain: UNP residues 361-618
Mutation：W215A, E217A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.3；295 K；200mM Ammonium chloride, 20% PEG 3350, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.94 Å R-free 0.235
3HK6 Crystal structure of murine thrombin mutant W215A/E217A (two molecules in the asymmetric unit) Deposited 2009-05-22 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 317–360（44 aa） Fragment：Light chain: UNP residues 317-360
Chain B 361–618（258 aa） Fragment：Heavy chain: UNP residues 361-618
Mutation：W215A, E217A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；295 K；200mM Ammonium dihydrogen phosphate, 14% PEG 3350, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 3.20 Å R-free 0.314
3HK6 Crystal structure of murine thrombin mutant W215A/E217A (two molecules in the asymmetric unit) Deposited 2009-05-22 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 317–360（44 aa） Fragment：Light chain: UNP residues 317-360
Chain D 361–618（258 aa） Fragment：Heavy chain: UNP residues 361-618
Mutation：W215A, E217A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；295 K；200mM Ammonium dihydrogen phosphate, 14% PEG 3350, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 3.20 Å R-free 0.314

6 other PDB entries and 11 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name THRB_MOUSE
Isoform —
PDB entities 1, 2
Chains and sequence ranges Author chain A； PDBConstruct 1–44； UniProt 317–360 Author chain D； PDBConstruct 1–44； UniProt 317–360 Author chain B； PDBConstruct 1–258； UniProt 361–618 Author chain E； PDBConstruct 1–258； UniProt 361–618

Proteinase-activated receptor 1

Homo sapiens

UniProt P25116

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain C； UniProt 42–62 Fragment：Extracellular fragment: UNP residues 42-62 Thrombin light chain × 1 （P19221） Thrombin heavy chain × 1 （P19221） NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；100mM Tris-HCl pH 8.5, 20% PEG 10000, VAPOR DIFFUSION, HANGING DROP, temperature 295K Resolution 2.20 Å R-free 0.261
2 Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count Chain F； UniProt 42–62 Fragment：Extracellular fragment: UNP residues 42-62 Thrombin light chain × 1 （P19221） Thrombin heavy chain × 1 （P19221） NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；100mM Tris-HCl pH 8.5, 20% PEG 10000, VAPOR DIFFUSION, HANGING DROP, temperature 295K Resolution 2.20 Å R-free 0.261

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 3HKI Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1NRN CRYSTALLOGRAPHIC STRUCTURES OF THROMBIN COMPLEXED WITH THROMBIN RECEPTOR PEPTIDES: EXISTENCE OF EXPECTED AND NOVEL BINDING MODES Deposited 1994-01-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain R 38–60（23 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.10 Å
1NRO CRYSTALLOGRAPHIC STRUCTURES OF THROMBIN COMPLEXED WITH THROMBIN RECEPTOR PEPTIDES: EXISTENCE OF EXPECTED AND NOVEL BINDING MODES Deposited 1994-01-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain R 38–64（27 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.10 Å
1NRP CRYSTALLOGRAPHIC STRUCTURES OF THROMBIN COMPLEXED WITH THROMBIN RECEPTOR PEPTIDES: EXISTENCE OF EXPECTED AND NOVEL BINDING MODES Deposited 1994-01-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain R 38–60（23 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.00 Å
1NRQ CRYSTALLOGRAPHIC STRUCTURES OF THROMBIN COMPLEXED WITH THROMBIN RECEPTOR PEPTIDES: EXISTENCE OF EXPECTED AND NOVEL BINDING MODES Deposited 1994-01-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain R 40–60（21 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.50 Å
1NRR Crystallographic structures of Thrombin complexed with Thrombin receptor peptides: Existence of expected and novel binding modes Deposited 1994-01-18 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain R 43–60（18 aa） Fragment：UNP residues 43-60
Not recorded 0G6 D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.40 Å
3BEF Crystal structure of thrombin bound to the extracellular fragment of PAR1 Deposited 2007-11-17 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 49–57（9 aa） Fragment：UNP residues 49-57
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；285 K；100mM MES, 30% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 285K
Resolution 2.20 Å R-free 0.248
3BEF Crystal structure of thrombin bound to the extracellular fragment of PAR1 Deposited 2007-11-17 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 49–57（9 aa） Fragment：UNP residues 49-57
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；285 K；100mM MES, 30% PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 285K
Resolution 2.20 Å R-free 0.248
3HKJ Crystal structure of human thrombin mutant W215A/E217A in complex with the extracellular fragment of human PAR1 Deposited 2009-05-23 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 42–62（21 aa） Fragment：Extracellular fragment: UNP residues 42-62
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；100mM HEPES pH 7.5, 20% PEG 10000, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.60 Å R-free 0.234
3HKJ Crystal structure of human thrombin mutant W215A/E217A in complex with the extracellular fragment of human PAR1 Deposited 2009-05-23 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 42–62（21 aa） Fragment：Extracellular fragment: UNP residues 42-62
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；100mM HEPES pH 7.5, 20% PEG 10000, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.60 Å R-free 0.234
3LU9 Crystal structure of human thrombin mutant S195A in complex with the extracellular fragment of human PAR1 Deposited 2010-02-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 33–57（25 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；295 K；200mM K/Na tartrate, 20% PEG3350, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.80 Å R-free 0.236
3LU9 Crystal structure of human thrombin mutant S195A in complex with the extracellular fragment of human PAR1 Deposited 2010-02-17 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 33–57（25 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；295 K；200mM K/Na tartrate, 20% PEG3350, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.80 Å R-free 0.236
3VW7 Crystal structure of human protease-activated receptor 1 (PAR1) bound with antagonist vorapaxar at 2.2 angstrom Deposited 2012-08-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 86–301（216 aa）
Chain A 303–395（93 aa）
Mutation：N250G, N259S, D1020N, C1054T, C1097A Mutation：N250G, N259S, D1020N, C1054T, C1097A VPX ethyl [(1R,3aR,4aR,6R,8aR,9S,9aS)-9-{(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl}-1-methyl-3-oxododecahydronaphtho[2,3-c]fur an-6-yl]carbamate × 1 OLC (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate × 9 CL CHLORIDE ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 293 K；0.1-0.2M sodium chloride, 100mM sodium phosphate pH 6.0-6.5, 25%-35% PEG 300, Lipidic cubic phase (in meso phase), temperature 293K
Resolution 2.20 Å R-free 0.235
8XOR Cryo-EM structure of the tethered agonist-bound human PAR1-Gq complex Deposited 2024-01-02 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain R 42–397（356 aa）
Not recorded CLR CHOLESTEROL × 6 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.00 Å
8XOS Cryo-EM structure of the tethered agonist-bound human PAR1-Gi complex Deposited 2024-01-02 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain R 42–397（356 aa）
Not recorded CLR CHOLESTEROL × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.20 Å
9D4Z CryoEM structure of PAR1 with endogenous tethered ligand Deposited 2024-08-13 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain R 42–425（384 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 2.74 Å

12 other PDB entries and 15 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name PAR1_HUMAN
Isoform —
PDB entities 3
Chains and sequence ranges Author chain C； PDBConstruct 1–21； UniProt 42–62 Author chain F； PDBConstruct 1–21； UniProt 42–62

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.

SAXS scattering curve SAXS Profile

SAXS profile for 3hki

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3hki
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2. Structure Basics 2. Structure Basics

Entry ID entry_id3hki
Deposition date deposition_date2009-05-23
Structure title titleCrystal structure of murine thrombin mutant W215A/E217A in complex with the extracellular fragment of human PAR1
Keywords keywords;Serine protease, Acute phase, Blood coagulation, Cleavage on pair of basic residues, Disulfide bond, Gamma-carboxyglutamic acid, Glycoprotein, Hydrolase, Kringle, Protease, Zymogen, Cell membrane, G-protein coupled receptor, Membrane, Phosphoprotein, Receptor, Transducer, Transmembrane ;; HYDROLASE
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier29.09 Å
Radius of gyration Rg (electron density) rg_electron28.51 Å
Forward intensity I(0) i080305900.00
Molecular weight molecular_weight71420.0 kDa
Excluded volume excluded_volume89793 ų
Envelope volume envelope_volume109800 ų
Hydration-shell volume shell_volume32130 ų
Envelope diameter envelope_diameter99.1 Å
Shell Rg shell_rg35.58 Å
Envelope Rg envelope_rg28.68 Å
Shape Rg shape_rg28.51 Å
Total Rg total_rg29.20 Å
Total atoms total_atoms5037
Residues n_residues510
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax93.0 Å
Rg (real space) rg_real29.16 Å
Rg uncertainty (real space) rg_real_error0.62 Å
I(0) (real space) i0_real8.0310e+07
I(0) uncertainty (real space) i0_real_error1.2650e+06
Rg (reciprocal space) rg_reciprocal29.13 Å
I(0) (reciprocal space) i0_reciprocal80300000.0000
Solution quality estimate total_estimate0.8806
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary28.7 Å
Skewness Skewness skewness0.387
Kurtosis Kurtosis kurtosis-0.537
Angular range angular_range— – 0.2750 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha52120000.0000
Real-space data points n_real_points56
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.862; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.942; Smooth: 0.916
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

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7. Fold Classification (SCOP + CATH) 6 domains

CATH v4.4 (6 domains)

Domain ID domain_id3hkiA00
Class class4 — Few Secondary Structures
Architecture architecture10 — Irregular
Topology topology140 — Epsilon-Thrombin; Chain L
Homologous superfamily homologous superfamily10 — Thrombin light chain domain
Domain ID domain_id3hkiB01
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology10 — Thrombin, subunit H
Homologous superfamily homologous superfamily10 — Trypsin-like serine proteases
Domain ID domain_id3hkiB02
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology10 — Thrombin, subunit H
Homologous superfamily homologous superfamily10 — Trypsin-like serine proteases
Domain ID domain_id3hkiD00
Class class4 — Few Secondary Structures
Architecture architecture10 — Irregular
Topology topology140 — Epsilon-Thrombin; Chain L
Homologous superfamily homologous superfamily10 — Thrombin light chain domain
Domain ID domain_id3hkiE01
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology10 — Thrombin, subunit H
Homologous superfamily homologous superfamily10 — Trypsin-like serine proteases
Domain ID domain_id3hkiE02
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology10 — Thrombin, subunit H
Homologous superfamily homologous superfamily10 — Trypsin-like serine proteases
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8. Citations (2)

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9. Files and Curves (10)