1bxo
;ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-METHYLBUTANOYL)VALYL-L-ASPARTYL)AMINO)-3-METHYLBUT YL] HYDROXYPHOSPHINYLOXY]-3-(3-AMINOMETHYL) PHENYLPROPANOATE ;
SAXS Profile
P(r) Distribution
1. Structure Basics
| entry_id | 1bxo |
| deposition_date | 1998-10-07 |
| title | ;ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-METHYLBUTANOYL)VALYL-L-ASPARTYL)AMINO)-3-METHYLBUT YL] HYDROXYPHOSPHINYLOXY]-3-(3-AMINOMETHYL) PHENYLPROPANOATE ; |
| keywords | HYDROLASE, PHOSPHONATE INHIBITORS, MACROCYCLE; HYDROLASE |
| method | X-RAY DIFFRACTION |
Download Data
2. SAXS Parameters (CRYSOL)
| rg_guinier | 20.67 Å |
| rg_electron | 19.31 Å |
| i0 | 22165600.00 |
| molecular_weight | 34684.0 kDa |
| excluded_volume | 42761 ų |
| envelope_volume | 48992 ų |
| shell_volume | 21050 ų |
| envelope_diameter | 66.0 Å |
| shell_rg | 25.96 Å |
| envelope_rg | 19.58 Å |
| shape_rg | 19.27 Å |
| total_rg | 20.29 Å |
| total_atoms | 4682 |
| n_residues | 323 |
| n_harmonics | 20 |
| q_range | — – 0.5000 Å−1 |
| n_points | 101 |
| shell_type | directional |
| solvent_density | 0.3340 e/ų |
| contrast_shell | 0.0300 e/ų |
| crysol_version | 4.1.3 |
3. P(r) Analysis (GNOM)
| dmax | 67.3 Å |
| rg_real | 20.58 Å |
| rg_real_error | 0.30 Å |
| i0_real | 2.2170e+07 |
| i0_real_error | 2.5520e+05 |
| rg_reciprocal | 20.60 Å |
| i0_reciprocal | 22170000.0000 |
| total_estimate | 0.7484 |
| solution_quality | REASONABLE a REASONABLE solution |
| n_peaks | 1 |
| r_peak_primary | 25.4 Å |
| skewness | 0.222 |
| kurtosis | -0.421 |
| angular_range | — – 0.3850 Å−1 |
| current_alpha | 0.0000 |
| highest_alpha | 5264000.0000 |
| n_real_points | 70 |
| gnom_version | 4.1.3 |
| quality_criteria | AN1: 0.000; Oscil: 0.858; Stabil: 1.000; Sysdev: 0.387; Positv: 1.000; Valcen: 0.999; Smooth: 0.991 |