STRUCTURE OF HIV-1 PROTEASE COMPLEX

Method: X-RAY DIFFRACTION D_max: 60.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dmp
deposition_date	1996-11-01
title	STRUCTURE OF HIV-1 PROTEASE COMPLEX
keywords	AIDS, POLYPROTEIN, HYDROLASE, ASPARTYL PROTEASE, ACID PROTEASE, RNA-DIRECTED DNA POLYMERASE, ENDONUCLEASE, ASPARTYL PROTEINASE; ASPARTYL PROTEINASE
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	18.18 Å
rg_electron	17.20 Å
i0	7808670.00
molecular_weight	22068.0 kDa
excluded_volume	28374 Å³
envelope_volume	31243 Å³
shell_volume	15607 Å³
envelope_diameter	61.1 Å
shell_rg	22.97 Å
envelope_rg	17.48 Å
shape_rg	17.18 Å
total_rg	18.27 Å
total_atoms	1884
n_residues	196
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	60.7 Å
rg_real	18.15 Å
rg_real_error	0.40 Å
i0_real	7.8090e+06
i0_real_error	1.0010e+05
rg_reciprocal	18.15 Å
i0_reciprocal	7809000.0000
total_estimate	0.7981
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	20.5 Å
skewness	0.333
kurtosis	-0.278
angular_range	— – 0.4400 Å⁻¹
current_alpha	0.0000
highest_alpha	2883000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.791; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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6. Citations (1)

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length_a	62.800 Å
length_b	62.800 Å
length_c	83.500 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 61
int_tables_number	169
crystal_system	—

resolution	2.000 Å
resolution_low	— Å
r_factor	0.2100
r_work	0.2100
r_free	—

description	HIV-1 PROTEASE
formula_weight	10773.7 kDa
ec_number	3.4.23.16
src_method	man
entity_count	2

type	polypeptide(L)
strand_id	A,B
atom_count	1884

STRUCTURE OF HIV-1 PROTEASE COMPLEX

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 (2)

Entity 1 polymer

Polymer

Source

Entity 2 non-polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

organism	Human immunodeficiency virus 1
ncbi_taxonomy_id	11676
host_organism	Escherichia coli

description	;[4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-1,3-BIS([(3-AMINO)PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)-2H-1,3-DIAZEPINONE ;
formula_weight	536.7 kDa
src_method	syn
entity_count	1

fit	/app/data/saxs_computation/dm/1dmp/1dmp.fit
pddf	/app/data/pr_computation/dm/1dmp/1dmp.pr.out
profile	/app/data/saxs_computation/dm/1dmp/1dmp.dat