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9r1w

PLK1 SURFACE ENTROPY REDUCTION (SER) MUTANT IN COMPLEX WITH THIAZOLIDINONE INHIBITOR COMPOUND 1

Method: X-RAY DIFFRACTION Dmax: 100.1 Å Quality: GOOD

SAXS Profile

SAXS profile for 9r1w

P(r) Distribution

P(r) distribution for 9r1w

1. Structure Basics

entry_id9r1w
deposition_date2025-04-28
titlePLK1 SURFACE ENTROPY REDUCTION (SER) MUTANT IN COMPLEX WITH THIAZOLIDINONE INHIBITOR COMPOUND 1
keywordsSURFACE ENTROPY REDUCTION, SER, SMALL MOLECULE INHIBITOR, DRUG DESIGN, KINASE, SERINE/THREONINE-PROTEIN KINASE, TRANSFERASE; TRANSFERASE
methodX-RAY DIFFRACTION

Download Data

2. SAXS Parameters (CRYSOL)

rg_guinier29.45
rg_electron28.87
i0148208000.00
molecular_weight64340.0 kDa
excluded_volume62135 ų
envelope_volume110170 ų
shell_volume32472 ų
envelope_diameter98.8
shell_rg35.37
envelope_rg28.83
shape_rg28.86
total_rg29.35
total_atoms4868
n_residues585
n_harmonics20
q_range— – 0.5000 −1
n_points101
shell_typedirectional
solvent_density0.3340 e/ų
contrast_shell0.0300 e/ų
crysol_version4.1.3

3. P(r) Analysis (GNOM)

dmax100.1
rg_real29.49
rg_real_error1.02
i0_real1.4820e+08
i0_real_error2.1250e+06
rg_reciprocal29.47
i0_reciprocal148200000.0000
total_estimate0.7992
solution_quality GOOD a GOOD solution
n_peaks3
r_peak_primary29.7
skewness0.344
kurtosis-0.540
angular_range— – 0.2700 −1
current_alpha0.0000
highest_alpha32180000.0000
n_real_points55
gnom_version4.1.3
quality_criteria AN1: 0.000; Oscil: 0.819; Stabil: 0.993; Sysdev: 1.000; Positv: 1.000; Valcen: 0.949; Smooth: 0.000

4. Crystallography & Experiment

5. Entities & Polymer Info (6)

6. Citations (1)

7. Files & Curves (10)