SAXSdb — 9yif

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1. Structure Basics

entry_id	9yif
deposition_date	2025-10-01
title	NN39-171 Fab in complex with HIV-1 Env 5MUT-3fill SOSIP
keywords	HIV-1, Envelope protein, Vaccine, Immunogen, Antibody, bNAb, Viral Protein, VIRAL PROTEIN-IMMUNE SYSTEM complex; VIRAL PROTEIN/IMMUNE SYSTEM
method	ELECTRON MICROSCOPY

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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	52.14 Å
rg_electron	51.94 Å
i0	1212000000.00
molecular_weight	284220.0 kDa
excluded_volume	353370 Å³
envelope_volume	516140 Å³
shell_volume	84470 Å³
envelope_diameter	165.0 Å
shell_rg	53.96 Å
envelope_rg	51.23 Å
shape_rg	51.97 Å
total_rg	51.87 Å
total_atoms	19923
n_residues	2325
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	159.9 Å
rg_real	52.00 Å
rg_real_error	1.36 Å
i0_real	1.2120e+09
i0_real_error	2.2280e+07
rg_reciprocal	52.23 Å
i0_reciprocal	1212000000.0000
total_estimate	0.8695
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	69.3 Å
skewness	0.126
kurtosis	-0.593
angular_range	— – 0.1500 Å⁻¹
current_alpha	0.0000
highest_alpha	55350000.0000
n_real_points	31
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.974; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.380

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4. Crystallography & Experiment

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5. Entities & Polymer Info (8)

Entity 1 polymer

description	Transmembrane protein gp41
formula_weight	17134.3 kDa
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,B,C
atom_count	19923

AVGIGAVSLGFLGAAGSTMGAASMTLTVQARNLLSGIVQQQSNLLRAPEPQQHLLKDTHWGIKQLQARVLAVEHYLRDQQLLGIWGCSGKLICCTNVPWNSSWSNRNLSEIWDNMTWLQWDKEISNYTQIIYGLLEESQNQQEKNEQDLLALD

Source

organism	Human immunodeficiency virus 1
ncbi_taxonomy_id	11676
host_organism	Homo sapiens

Entity 2 polymer

description	Envelope glycoprotein gp120
formula_weight	53927.0 kDa
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	E,F,G

NLWVTVYYGVPVWKDAETTLFCASDAKAYETEKHNVWATHACVPTDPNPQEIHLENVTEEFNMWKNNMVEQMHEDIISLWDQSLKPCVKLTPLCVTLQCTNYTPNLTNDMRGELKNCSFNMTTELRDKKQKVYSLFYRLDVVQINENQGNRSNNSNKEYRLINCNTSACTQACPKVSFEPIPIHYCAPAGFAILKCKNKTFNGTGPCPNVSTVQCTHGIKPVVSTQLLLNGSLAEEEVIIRSENITNNAKNILVQLNTPVQINCTRPNNNTVKSIRIGPGQAFYYTGDIIGDIRQAHCNVSKATWNETLGNVSKQLRKHFGNNTIIRFAQSSGGDLEVTTHSFNCGGEFFYCNTSGLFNSTWISNTSVQGSNSTGSNDSITLPCRIKQIINMWQRIGQCMYAPPIQGVIRCVSNITGLILTRDGGSTNSTTETFRPGGGDMRDNWRSELYKYKVVKIEPLGVAPTRCKRRVVGRRRRRR

Source

organism	Human immunodeficiency virus 1
ncbi_taxonomy_id	11676
host_organism	Homo sapiens

Entity 3 polymer

description	NN39-171 Fab heavy chain
formula_weight	14272.0 kDa
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	H,J,M

EVQLVESGGGLAKPGGSLKLSCAASGFSFRDHYMDWVRQAPGKGLEWVSRISNGGRVTWYADSVKGRFSISRDNARNTLFLQMNSLRPEDTAVYFCARGRRVGPYDLNYYLTDSFDYWGQGVLVIVSS

Source

organism	Macaca mulatta
common_name	Rhesus monkey
ncbi_taxonomy_id	9544
host_organism	Homo sapiens

Entity 4 polymer

description	NN39-171 Fab light chain
formula_weight	11714.1 kDa
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	K,L,N

EIVMTQSPATLSLSPGDRATLSCRASQSVSRDLAWYQKKPGQAPRLLMYDAFSRATGIPDRFSGSGSGTDFALTINSLEAEDFALYYCQQFSKWPPGFGQGTKVEIK

Source

organism	Macaca mulatta
common_name	Rhesus monkey
ncbi_taxonomy_id	9544
host_organism	Homo sapiens

Entity 5 branched

description	;alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ;
formula_weight	748.7 kDa
src_method	man
entity_count	3

Entity 6 branched

description	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	424.4 kDa
src_method	man
entity_count	6

Entity 7 branched

description	;alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ;
formula_weight	1721.5 kDa
src_method	man
entity_count	3

Entity 8 non-polymer

description	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	syn
entity_count	42

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6. Citations (1)

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length_a	1.000 Å
length_b	1.000 Å
length_c	1.000 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	—

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	3.800 Å
resolution_low	— Å
r_factor	—
r_work	—
r_free	—

resolution	3.80 Å
resolution_method	—
num_particles	120115

fit	/app/data/saxs_computation/yi/9yif/9yif.fit
pddf	/app/data/pr_computation/yi/9yif/9yif.pr.out
profile	/app/data/saxs_computation/yi/9yif/9yif.dat

NN39-171 Fab in complex with HIV-1 Env 5MUT-3fill SOSIP

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

EM 3D

5. Entities & Polymer Info (8)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 polymer

Polymer

Source

Entity 4 polymer

Polymer

Source

Entity 5 branched

Entity 6 branched

Entity 7 branched

Entity 8 non-polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)