;ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP. ;

Method: X-RAY DIFFRACTION D_max: 64.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1c6y
deposition_date	1999-12-28
title	;ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP. ;
keywords	hydrolase; HYDROLASE
method	X-RAY DIFFRACTION

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Download Data

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

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2. SAXS Parameters (CRYSOL)

rg_guinier	18.50 Å
rg_electron	17.42 Å
i0	7998570.00
molecular_weight	22163.0 kDa
excluded_volume	28434 Å³
envelope_volume	32543 Å³
shell_volume	15993 Å³
envelope_diameter	65.0 Å
shell_rg	23.31 Å
envelope_rg	17.79 Å
shape_rg	17.42 Å
total_rg	18.44 Å
total_atoms	1559
n_residues	198
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

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3. P(r) Analysis (GNOM)

dmax	64.3 Å
rg_real	18.49 Å
rg_real_error	0.48 Å
i0_real	7.9990e+06
i0_real_error	9.4190e+04
rg_reciprocal	18.49 Å
i0_reciprocal	7999000.0000
total_estimate	0.7762
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	20.3 Å
skewness	0.383
kurtosis	-0.189
angular_range	— – 0.4300 Å⁻¹
current_alpha	0.0000
highest_alpha	3629000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.704; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.975; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

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6. Citations (2)

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length_a	58.440 Å
length_b	88.260 Å
length_c	42.940 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	2.500 Å
resolution_low	8.000 Å
r_factor	0.1800
r_work	0.1800
r_free	0.3100

description	PROTEIN (PROTEASE)
formula_weight	10801.7 kDa
ec_number	3.4.24.-
src_method	man
entity_count	2

type	polypeptide(L)
strand_id	A,B
atom_count	1643

;ALTERNATE BINDING SITE FOR THE P1-P3 GROUP OF A CLASS OF POTENT HIV-1 PROTEASE INHIBITORS AS A RESULT OF CONCERTED STRUCTURAL CHANGE IN 80'S LOOP. ;

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Source

Entity 2 non-polymer

Entity 3 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Human immunodeficiency virus 1
ncbi_taxonomy_id	11676
host_organism	Escherichia coli

description	;N-[2(R)-HYDROXY-1(S)-INDANYL]-5-[(2(S)-TERTIARY BUTYLAMINOCARBONYL)-4(3-PYRIDYLMETHYL)PIPERAZINO]-4(S)-HYDROXY-2(R)-PHENYLMETHYLPENTANAMIDE ;
formula_weight	613.8 kDa
src_method	syn
entity_count	1

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	84

fit	/app/data/saxs_computation/c6/1c6y/1c6y.fit
pddf	/app/data/pr_computation/c6/1c6y/1c6y.pr.out
profile	/app/data/saxs_computation/c6/1c6y/1c6y.dat