3oy6

The crystal structure of uPA complex with peptide inhibitor MH036 at pH4.6

Method: X-RAY DIFFRACTION Dmax: 59.2 Å Quality: GOOD

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

Urokinase-type plasminogen activator

Homo sapiens

UniProt P00749

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 × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain U; UniProt 179–431 Fragment:C-TERMINAL DOMAIN, UNP residues 179-431 Mutation:C122A, N145Q MH036 × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 7.4;298 K;0.05M SODIUM CITRATE, 1.95M (NH4)2SO4, 0.05% NAN3, 5% PEG 400, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K Resolution 2.31 Å R-free 0.263

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.

147 other PDB entries and 165 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name UROK_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain U; PDBConstruct 1–253; UniProt 179–431

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 3oy6

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3oy6
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2. Structure Basics 2. Structure Basics

Entry ID entry_id3oy6
Deposition date deposition_date2010-09-22
Structure title titleThe crystal structure of uPA complex with peptide inhibitor MH036 at pH4.6
Keywords keywordsUROKINASE-TYPE PLASMINOGEN ACTIVATOR, PEPTIDYL INHIBITOR, PHARMACOPHORE, HYDROLASE, 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_guinier18.33
Radius of gyration Rg (electron density) rg_electron17.12
Forward intensity I(0) i016186800.00
Molecular weight molecular_weight29513.0 kDa
Excluded volume excluded_volume36573 ų
Envelope volume envelope_volume40933 ų
Hydration-shell volume shell_volume19291 ų
Envelope diameter envelope_diameter58.1
Shell Rg shell_rg24.09
Envelope Rg envelope_rg17.54
Shape Rg shape_rg17.10
Total Rg total_rg18.19
Total atoms total_atoms2069
Residues n_residues240
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 dmax59.2
Rg (real space) rg_real18.21
Rg uncertainty (real space) rg_real_error0.27
I(0) (real space) i0_real1.6190e+07
I(0) uncertainty (real space) i0_real_error1.9430e+05
Rg (reciprocal space) rg_reciprocal18.23
I(0) (reciprocal space) i0_reciprocal16190000.0000
Solution quality estimate total_estimate0.8807
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary58.4
Skewness Skewness skewness0.144
Kurtosis Kurtosis kurtosis-0.363
Angular range angular_range— – 0.4350 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha5564000.0000
Real-space data points n_real_points75
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.824; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.987

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id3oy6U01
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology10 — Thrombin, subunit H
Homologous superfamily homologous superfamily10 — Trypsin-like serine proteases
Domain ID domain_id3oy6U02
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)