← Back to search

1b6m

HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 6

Method: X-RAY DIFFRACTION D_max: 59.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1b6m
deposition_date	1999-01-17
title	HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 6
keywords	COMPLEX (ACID PROTEINASE-PEPTIDE), HYDROLASE-HYDROLASE INHIBITOR COMPLEX; HYDROLASE/HYDROLASE INHIBITOR
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	18.52 Å
rg_electron	17.19 Å
i0	8111810.00
molecular_weight	22107.0 kDa
excluded_volume	28243 Å³
envelope_volume	32122 Å³
shell_volume	15943 Å³
envelope_diameter	58.8 Å
shell_rg	23.12 Å
envelope_rg	17.52 Å
shape_rg	17.17 Å
total_rg	18.25 Å
total_atoms	1554
n_residues	194
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

▼

3. P(r) Analysis (GNOM)

dmax	59.8 Å
rg_real	18.49 Å
rg_real_error	0.38 Å
i0_real	8.1120e+06
i0_real_error	1.1100e+05
rg_reciprocal	18.49 Å
i0_reciprocal	8112000.0000
total_estimate	0.8109
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	20.5 Å
skewness	0.314
kurtosis	-0.346
angular_range	— – 0.4300 Å⁻¹
current_alpha	0.0000
highest_alpha	3588000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.846; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.000

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	RETROPEPSIN
formula_weight	10765.7 kDa
ec_number	3.4.23.16
mutation	GLN7LYS, LEU33ILE, CYS67ABA, CYS95ABA, GLN107LYS, LEU133ILE, CYS167ABA, CYS195ABA
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	1709

PQITLWKRPLVTIRIGGQLKEALLDTGADDTVIEEMNLPGKWKPKMIGGIGGFIKVRQYDQIPVEIAGHKAIGTVLVGPTPVNIIGRNLLTQIGATLNF

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	3

Entity 3 non-polymer

description	;[1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YLAMINO)-2-HYDROXY-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER ;
formula_weight	596.8 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	95

▶

6. Citations (1)

▶

length_a	51.470 Å
length_b	58.710 Å
length_c	62.050 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.850 Å
resolution_low	8.000 Å
r_factor	0.1950
r_work	0.1950
r_free	0.2270

fit	/app/data/saxs_computation/b6/1b6m/1b6m.fit
pddf	/app/data/pr_computation/b6/1b6m/1b6m.pr.out
profile	/app/data/saxs_computation/b6/1b6m/1b6m.dat

HIV-1 PROTEASE COMPLEXED WITH MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 6

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction