7uah

Macrocyclic plasmin inhibitor

Method: X-RAY DIFFRACTION Dmax: 81.7 Å Quality: GOOD

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

Plasminogen

Homo sapiens

UniProt P00747

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 monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain A; UniProt 561–810 Mutation:S760A M63 (6S,9R,19S,22R)-N-{[4-(aminomethyl)phenyl]methyl}-22-[(3-chlorobenzene-1-sulfonyl)amino]-3,12,21-trioxo-2,6,9,13,20-pentaazatetracyclo[22.2.2.2~6,9~.2~14,17~]dotriaconta-1(26),14,16,24,27,29-hexaene-19-carboxamide × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 5;293 K;13-18% PEG 4000, 150 mM Ammonium sulfate, 100 mM MES, 10% 1,2-butanediol Resolution 1.57 Å R-free 0.192
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain B; UniProt 561–810 Mutation:S760A M63 (6S,9R,19S,22R)-N-{[4-(aminomethyl)phenyl]methyl}-22-[(3-chlorobenzene-1-sulfonyl)amino]-3,12,21-trioxo-2,6,9,13,20-pentaazatetracyclo[22.2.2.2~6,9~.2~14,17~]dotriaconta-1(26),14,16,24,27,29-hexaene-19-carboxamide × 1 SO4 SULFATE ION × 2 NZ5 (2~{R})-butane-1,2-diol × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 5;293 K;13-18% PEG 4000, 150 mM Ammonium sulfate, 100 mM MES, 10% 1,2-butanediol Resolution 1.57 Å R-free 0.192

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.

46 other PDB entries and 75 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name PLMN_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–250; UniProt 561–810 Author chain B; PDBConstruct 1–250; UniProt 561–810

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 7uah

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 7uah
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2. Structure Basics 2. Structure Basics

Entry ID entry_id7uah
Deposition date deposition_date2022-03-12
Structure title titleMacrocyclic plasmin inhibitor
Keywords keywordsprotease, inhibitor, complex, BLOOD CLOTTING; BLOOD CLOTTING
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier25.93
Radius of gyration Rg (electron density) rg_electron25.33
Forward intensity I(0) i052144500.00
Molecular weight molecular_weight55779.0 kDa
Excluded volume excluded_volume69644 ų
Envelope volume envelope_volume83672 ų
Hydration-shell volume shell_volume27728 ų
Envelope diameter envelope_diameter85.3
Shell Rg shell_rg32.46
Envelope Rg envelope_rg25.37
Shape Rg shape_rg25.32
Total Rg total_rg26.14
Total atoms total_atoms4017
Residues n_residues494
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 dmax81.7
Rg (real space) rg_real25.96
Rg uncertainty (real space) rg_real_error0.70
I(0) (real space) i0_real5.2140e+07
I(0) uncertainty (real space) i0_real_error7.8050e+05
Rg (reciprocal space) rg_reciprocal25.95
I(0) (reciprocal space) i0_reciprocal52140000.0000
Solution quality estimate total_estimate0.8482
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary29.5
Skewness Skewness skewness0.365
Kurtosis Kurtosis kurtosis-0.469
Angular range angular_range— – 0.3050 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha19650000.0000
Real-space data points n_real_points62
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.858; Stabil: 0.978; Sysdev: 1.000; Positv: 1.000; Valcen: 0.984; Smooth: 0.532

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

8. Citations (1)

9. Files and Curves (10)