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1e2g

Human thymidylate kinase complexed with ADP, TDP and a magnesium-ion

Method: X-RAY DIFFRACTION D_max: 52.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e2g
deposition_date	2000-05-22
title	Human thymidylate kinase complexed with ADP, TDP and a magnesium-ion
keywords	TRANSFERASE, P-LOOP; TRANSFERASE
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	17.46 Å
rg_electron	16.20 Å
i0	10716900.00
molecular_weight	23693.0 kDa
excluded_volume	29409 Å³
envelope_volume	32541 Å³
shell_volume	16592 Å³
envelope_diameter	53.1 Å
shell_rg	22.51 Å
envelope_rg	16.44 Å
shape_rg	16.19 Å
total_rg	17.20 Å
total_atoms	1662
n_residues	205
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	52.3 Å
rg_real	17.32 Å
rg_real_error	0.27 Å
i0_real	1.0720e+07
i0_real_error	1.1980e+05
rg_reciprocal	17.34 Å
i0_reciprocal	10720000.0000
total_estimate	0.8275
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	22.3 Å
skewness	0.094
kurtosis	-0.460
angular_range	— – 0.4550 Å⁻¹
current_alpha	0.0000
highest_alpha	2069000.0000
n_real_points	76
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.927; Stabil: 0.996; Sysdev: 1.000; Positv: 1.000; Valcen: 0.985; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	THYMIDYLATE KINASE
formula_weight	24052.5 kDa
ec_number	2.7.4.9
mutation	YES
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	1971

GSHMAARRGALIVLEGVDRAGKSTQSRKLVEALCAAGHRAELLRFPERSTEIGKLLSSYLQKKSDVEDHSVHLLFSANRWEQVPLIKEKLSQGVTLVVDRYAFSGVAFTGAKENFSLDWCKQPDVGLPKPDLVLFLQLQLADAAKRGAFGHERYENGAFQERALRCFHQLMKDTTLNWKMVDASKSIEAVHEDIRVLSEDAIATATEKPLGELWK

Source

organism	HOMO SAPIENS
common_name	HUMAN
ncbi_taxonomy_id	9606
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	THYMIDINE-5'-PHOSPHATE
formula_weight	322.2 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	ADENOSINE-5'-DIPHOSPHATE
formula_weight	427.2 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	THYMIDINE-5'-DIPHOSPHATE
formula_weight	402.2 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	2

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	269

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6. Citations (1)

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length_a	101.100 Å
length_b	101.100 Å
length_c	49.200 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

resolution	1.700 Å
resolution_low	50.500 Å
r_factor	—
r_work	0.1910
r_free	0.2400

fit	/app/data/saxs_computation/e2/1e2g/1e2g.fit
pddf	/app/data/pr_computation/e2/1e2g/1e2g.pr.out
profile	/app/data/saxs_computation/e2/1e2g/1e2g.dat