3pma

2.2 Angstrom crystal structure of the complex between Bovine Thrombin and Sucrose Octasulfate

Method: X-RAY DIFFRACTION Dmax: 92.1 Å Quality: GOOD

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

Thrombin light chain

OrganismNot specified

UniProt P00735

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 1 PDB declaration: dimeric(2) Consistent with protein copy count Chain A; UniProt 336–364 Chain B; UniProt 367–625 Fragment:Bovine Thrombin Light Chain residues 336-364 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose × 1 NA SODIUM ION × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.2;295 K;3 microliters Bovine thrombin, 7 mg/ml in 0.01M Tris-HCl, ph 8.0, 0.05M NaCl, 0.1M sodium citrate, 20% w/v, VAPOR DIFFUSION, HANGING DROP, temperature 295K Resolution 2.20 Å R-free 0.245
2 Other combination Homooligomer Protein × 2 其他Polymer 1 PDB declaration: dimeric(2) Consistent with protein copy count Chain C; UniProt 336–364 Chain D; UniProt 367–625 Fragment:Bovine Thrombin Light Chain residues 336-364 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose × 1 NA SODIUM ION × 1 CIT CITRIC ACID × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.2;295 K;3 microliters Bovine thrombin, 7 mg/ml in 0.01M Tris-HCl, ph 8.0, 0.05M NaCl, 0.1M sodium citrate, 20% w/v, VAPOR DIFFUSION, HANGING DROP, temperature 295K Resolution 2.20 Å R-free 0.245
3 Other combination Homooligomer Protein × 8 其他Polymer 4 PDB declaration: octameric(8) Consistent with protein copy count Chain A; UniProt 336–364 Chain B; UniProt 367–625 Chain C; UniProt 336–364 Chain D; UniProt 367–625 Fragment:Bovine Thrombin Light Chain residues 336-364 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose × 4 NA SODIUM ION × 4 CIT CITRIC ACID × 4 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.2;295 K;3 microliters Bovine thrombin, 7 mg/ml in 0.01M Tris-HCl, ph 8.0, 0.05M NaCl, 0.1M sodium citrate, 20% w/v, VAPOR DIFFUSION, HANGING DROP, temperature 295K Resolution 2.20 Å R-free 0.245
4 Other combination Homooligomer Protein × 4 其他Polymer 2 PDB declaration: tetrameric(4) Consistent with protein copy count Chain A; UniProt 336–364 Chain B; UniProt 367–625 Chain C; UniProt 336–364 Chain D; UniProt 367–625 Fragment:Bovine Thrombin Light Chain residues 336-364 1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose-(2-1)-2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose × 2 NA SODIUM ION × 2 CIT CITRIC ACID × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.2;295 K;3 microliters Bovine thrombin, 7 mg/ml in 0.01M Tris-HCl, ph 8.0, 0.05M NaCl, 0.1M sodium citrate, 20% w/v, VAPOR DIFFUSION, HANGING DROP, temperature 295K Resolution 2.20 Å R-free 0.245

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.

30 other PDB entries and 52 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name THRB_BOVIN
Isoform
PDB entities 1, 2
Chains and sequence ranges Author chain A; PDBConstruct 1–29; UniProt 336–364 Author chain C; PDBConstruct 1–29; UniProt 336–364 Author chain B; PDBConstruct 1–259; UniProt 367–625 Author chain D; PDBConstruct 1–259; UniProt 367–625

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 3pma

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id3pma
Deposition date deposition_date2010-11-16
Structure title title2.2 Angstrom crystal structure of the complex between Bovine Thrombin and Sucrose Octasulfate
Keywords keywordsProtease, thrombosis, fibrinolysis, agonist, Hydrolase-Hydrolase Inhibitor complex; Hydrolase/Hydrolase Inhibitor
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier28.41
Radius of gyration Rg (electron density) rg_electron27.70
Forward intensity I(0) i071763500.00
Molecular weight molecular_weight64758.0 kDa
Excluded volume excluded_volume80320 ų
Envelope volume envelope_volume100050 ų
Hydration-shell volume shell_volume30175 ų
Envelope diameter envelope_diameter94.5
Shell Rg shell_rg34.76
Envelope Rg envelope_rg27.88
Shape Rg shape_rg27.75
Total Rg total_rg28.24
Total atoms total_atoms4531
Residues n_residues475
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 −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

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

Maximum dimension Dmax dmax92.1
Rg (real space) rg_real28.52
Rg uncertainty (real space) rg_real_error0.59
I(0) (real space) i0_real7.1760e+07
I(0) uncertainty (real space) i0_real_error9.9320e+05
Rg (reciprocal space) rg_reciprocal28.49
I(0) (reciprocal space) i0_reciprocal71760000.0000
Solution quality estimate total_estimate0.8775
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary28.0
Skewness Skewness skewness0.396
Kurtosis Kurtosis kurtosis-0.524
Angular range angular_range— – 0.2800 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha19970000.0000
Real-space data points n_real_points57
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.851; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.941; Smooth: 0.911

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (6)

7. Fold Classification (SCOP + CATH) 4 domains

CATH v4.4 (4 domains)

Domain ID domain_id3pmaB01
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology10 — Thrombin, subunit H
Homologous superfamily homologous superfamily10 — Trypsin-like serine proteases
Domain ID domain_id3pmaB02
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology10 — Thrombin, subunit H
Homologous superfamily homologous superfamily10 — Trypsin-like serine proteases
Domain ID domain_id3pmaD01
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology10 — Thrombin, subunit H
Homologous superfamily homologous superfamily10 — Trypsin-like serine proteases
Domain ID domain_id3pmaD02
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology10 — Thrombin, subunit H
Homologous superfamily homologous superfamily10 — Trypsin-like serine proteases

8. Citations (1)

9. Files and Curves (10)