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9uz4

Crystal structure of the indoleamine 2,3-dioxygenagse 2 (IDO2) complexed with 5-methoxy-L-Trp

Method: X-RAY DIFFRACTION D_max: 106.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	9uz4
deposition_date	2025-05-16
last_revision	2026-04-08
title	Crystal structure of the indoleamine 2,3-dioxygenagse 2 (IDO2) complexed with 5-methoxy-L-Trp
keywords	HEM protein, Complex, OXIDOREDUCTASE; OXIDOREDUCTASE
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	32.61 Å
rg_electron	32.31 Å
i0	105716000.00
molecular_weight	84956.0 kDa
excluded_volume	107520 Å³
envelope_volume	132110 Å³
shell_volume	34960 Å³
envelope_diameter	111.0 Å
shell_rg	38.18 Å
envelope_rg	32.21 Å
shape_rg	32.29 Å
total_rg	32.87 Å
total_atoms	5994
n_residues	749
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	106.8 Å
rg_real	32.78 Å
rg_real_error	0.81 Å
i0_real	1.0570e+08
i0_real_error	1.6990e+06
rg_reciprocal	32.71 Å
i0_reciprocal	105700000.0000
total_estimate	0.8722
solution_quality	GOOD a GOOD solution
n_peaks	1
r_peak_primary	30.5 Å
skewness	0.396
kurtosis	-0.598
angular_range	— – 0.2450 Å⁻¹
current_alpha	0.0000
highest_alpha	47950000.0000
n_real_points	50
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.845; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.899; Smooth: 0.899

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4. Crystallography & Experiment

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5. Entities & Polymer Info (7)

Entity 1 polymer

description	Maltose/maltodextrin-binding periplasmic protein,Indoleamine 2,3-dioxygenase 2
formula_weight	86825.9 kDa
ec_number	1.13.11.-
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	6099

MGSSHHHHHHENLYFQGMKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELVKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAQTTAVPLSLESYHISEEYGFLLPDSLKELPDHYRPWMEIANKLPQLIDAHQLQAHVDKMPLLSCQFLKGHREQRLAHLVLSFLTMGYVWQEGEAQPAEVLPRNLALPFVEVSRNLGLPPILVHSDLVLTNWTKKDPDGFLEIGNLETIISFPGGESLHGFILVTALVEKEAVPGIKALVQATNAILQPNQEALLQALQRLRLSIQDITKTLGQMHDYVDPDIFYAGIRIFLSGWKDNPAMPAGLMYEGVSQEPLKYSGGSAAQSTVLHAFDEFLGIRHSKESGDFLYRMRDYMPPSHKAFIEDIHSAPSLRDYILSSGQDHLLTAYNQCVQALAELRSYHITMVTKYLITAAAKAKHGKPNHLPGPPQALKDRGTGGTAVMSFLKSVRDKTLESILHPRG

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

Entity 2 branched

description	alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
formula_weight	342.3 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	5-methoxy-L-tryptophan
formula_weight	234.3 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	12

Entity 5 non-polymer

description	PROTOPORPHYRIN IX CONTAINING FE
formula_weight	616.5 kDa
src_method	nat
entity_count	1

Entity 6 non-polymer

description	CYANIDE ION
formula_weight	26.0 kDa
src_method	syn
entity_count	1

Entity 7 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	105

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6. Citations (1)

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length_a	198.253 Å
length_b	198.253 Å
length_c	94.113 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 31 2 1
int_tables_number	152
crystal_system	—

resolution	2.500 Å
resolution_low	45.380 Å
r_factor	0.2481
r_work	0.2464
r_free	0.2801

fit	/app/data/saxs_computation/uz/9uz4/9uz4.fit
pddf	/app/data/pr_computation/uz/9uz4/9uz4.pr.out
profile	/app/data/saxs_computation/uz/9uz4/9uz4.dat