SAXSdb — 1de4

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1. Structure Basics

entry_id	1de4
deposition_date	1999-11-12
title	HEMOCHROMATOSIS PROTEIN HFE COMPLEXED WITH TRANSFERRIN RECEPTOR
keywords	HFE, HEREDITARY HEMOCHROMATOSIS, MHC CLASS I, TRANSFERRIN RECEPTOR, METAL TRANSPORT INHIBITOR-RECEPTOR COMPLEX; METAL TRANSPORT INHIBITOR/RECEPTOR
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	63.62 Å
rg_electron	65.04 Å
i0	1644720000.00
molecular_weight	344080.0 kDa
excluded_volume	431620 Å³
envelope_volume	641210 Å³
shell_volume	89538 Å³
envelope_diameter	245.5 Å
shell_rg	57.01 Å
envelope_rg	64.64 Å
shape_rg	65.01 Å
total_rg	64.97 Å
total_atoms	24306
n_residues	3018
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	213.2 Å
rg_real	64.32 Å
rg_real_error	1.95 Å
i0_real	1.6410e+09
i0_real_error	3.4720e+07
rg_reciprocal	62.61 Å
i0_reciprocal	1639000000.0000
total_estimate	0.5932
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	51.2 Å
skewness	0.612
kurtosis	-0.252
angular_range	— – 0.1250 Å⁻¹
current_alpha	0.0122
highest_alpha	100500000.0000
n_real_points	26
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.725; Stabil: 0.999; Sysdev: 0.004; Positv: 1.000; Valcen: 0.910; Smooth: 0.607

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4. Crystallography & Experiment

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5. Entities & Polymer Info (7)

Entity 1 polymer

description	HEMOCHROMATOSIS PROTEIN
formula_weight	32339.4 kDa
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,D,G
atom_count	24315

RLLRSHSLHYLFMGASEQDLGLSLFEALGYVDDQLFVFYDHESRRVEPRTPWVSSRISSQMWLQLSQSLKGWDHMFTVDFWTIMENHNHSKESHTLQVILGCEMQEDNSTEGYWKYGYDGQDHLEFCPDTLDWRAAEPRAWPTKLEWERHKIRARQNRAYLERDCPAQLQQLLELGRGVLDQQVPPLVKVTHHVTSSVTTLRCRALNYYPQNITMKWLKDKQPMDAKEFEPKDVLPNGDGTYQGWITLAVPPGEEQRYTCQVEHPGLDQPLIVIW

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Cricetulus griseus

Entity 2 polymer

description	BETA-2-MICROGLOBULIN
formula_weight	11748.2 kDa
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	B,E,H

IQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Cricetulus griseus

Entity 3 polymer

description	TRANSFERRIN RECEPTOR
formula_weight	71807.3 kDa
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	C,F,I

RLYWDDLKRKLSEKLDSTDFTSTIKLLNENSYVPREAGSQKDENLALYVENQFREFKLSKVWRDQHFVKIQVKDSAQNSVIIVDKNGRLVYLVENPGGYVAYSKAATVTGKLVHANFGTKKDFEDLYTPVNGSIVIVRAGKITFAEKVANAESLNAIGVLIYMDQTKFPIVNAELSFFGHAHLGTGDPYTPGFPSFNHTQFPPSRSSGLPNIPVQTISRAAAEKLFGNMEGDCPSDWKTDSTCRMVTSESKNVKLTVSNVLKEIKILNIFGVIKGFVEPDHYVVVGAQRDAWGPGAAKSGVGTALLLKLAQMFSDMVLKDGFQPSRSIIFASWSAGDFGSVGATEWLEGYLSSLHLKAFTYINLDKAVLGTSNFKVSASPLLYTLIEKTMQNVKHPVTGQFLYQDSNWASKVEKLTLDNAAFPFLAYSGIPAVSFCFCEDTDYPYLGTTMDTYKELIERIPELNKVARAAAEVAGQFVIKLTHDVELNLDYERYNSQLLSFVRDLNQYRADIKEMGLSLQWLYSARGDFFRATSRLTTDFGNAEKTDRFVMKKLNDRVMRVEYHFLSPYVSPKESPFRHVFWGSGSHTLPALLENLKLRKQNNGAFNETLFRNQLALATWTIQGAANALSGDVWDIDNEF

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Trichoplusia ni

Entity 4 non-polymer

description	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	man
entity_count	3

Entity 5 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	3

Entity 6 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	1

Entity 7 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	9

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6. Citations (1)

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length_a	110.400 Å
length_b	144.400 Å
length_c	327.100 Å
angle_alpha	90.00 °
angle_beta	93.60 °
angle_gamma	90.00 °
z_pdb	12

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.800 Å
resolution_low	30.000 Å
r_factor	0.2310
r_work	0.2310
r_free	0.2650

fit	/app/data/saxs_computation/de/1de4/1de4.fit
pddf	/app/data/pr_computation/de/1de4/1de4.pr.out
profile	/app/data/saxs_computation/de/1de4/1de4.dat

HEMOCHROMATOSIS PROTEIN HFE COMPLEXED WITH TRANSFERRIN RECEPTOR

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

5. Entities & Polymer Info (7)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 polymer

Polymer

Source

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 non-polymer

Entity 7 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)