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9sjp

Single-chain chimeric protein mimicking the interaction between HR1 and HR2 in HIV gp41 bound to ANS

Method: X-RAY DIFFRACTION D_max: 90.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9sjp
deposition_date	2025-08-31
last_revision	2026-05-13
title	Single-chain chimeric protein mimicking the interaction between HR1 and HR2 in HIV gp41 bound to ANS
keywords	GP41, HIV-1, VIRAL PROTEIN; VIRAL PROTEIN
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	27.36 Å
rg_electron	26.47 Å
i0	35964700.00
molecular_weight	45151.0 kDa
excluded_volume	56330 Å³
envelope_volume	72552 Å³
shell_volume	24160 Å³
envelope_diameter	95.5 Å
shell_rg	31.94 Å
envelope_rg	26.99 Å
shape_rg	26.48 Å
total_rg	27.08 Å
total_atoms	6436
n_residues	387
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	90.9 Å
rg_real	27.48 Å
rg_real_error	0.75 Å
i0_real	3.5960e+07
i0_real_error	5.0710e+05
rg_reciprocal	27.44 Å
i0_reciprocal	35960000.0000
total_estimate	0.8839
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	32.9 Å
skewness	0.412
kurtosis	-0.370
angular_range	— – 0.2900 Å⁻¹
current_alpha	0.0000
highest_alpha	9305000.0000
n_real_points	59
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.882; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.924; Smooth: 0.918

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	Transmembrane protein gp41,Y26L-covNHR
formula_weight	23678.8 kDa
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	7079

MYTSLIHSLIEESQNQQEKNEQELLELGEGEARQELSGIVQKQNNLLRQIEAQQHLLQLTVSKIKQLQARILAVERYLKDQQLGKGNQPQQDKLYREVALIRAQLQKIESETLQLLHQQAEIERELNNQEQEIGSLKQRGLIDGPLLSGIDQQQNNLKRAIEAQKHLLQLTVWGIKQLQARILAVERYLKDQQLGGGGSHHHHHH

Source

organism	Human immunodeficiency virus 1
ncbi_taxonomy_id	11676
host_organism	Escherichia coli

Entity 2 non-polymer

description	8-ANILINO-1-NAPHTHALENE SULFONATE
formula_weight	299.3 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	3

Entity 4 non-polymer

description	ANILINE
formula_weight	93.1 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	470

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6. Citations (1)

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length_a	47.500 Å
length_b	53.100 Å
length_c	58.000 Å
angle_alpha	70.02 °
angle_beta	69.93 °
angle_gamma	71.65 °
z_pdb	2

space_group	P 1
int_tables_number	1
crystal_system	triclinic

resolution	1.150 Å
resolution_low	19.470 Å
r_factor	0.1508
r_work	0.1497
r_free	0.1727

fit	/app/data/saxs_computation/sj/9sjp/9sjp.fit
pddf	/app/data/pr_computation/sj/9sjp/9sjp.pr.out
profile	/app/data/saxs_computation/sj/9sjp/9sjp.dat