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1e2p

Thymidine kinase, DHBT

Method: X-RAY DIFFRACTION D_max: 79.1 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e2p
deposition_date	2000-05-23
title	Thymidine kinase, DHBT
keywords	TRANSFERASE, KINASE, DNA SYNTHESIS, ATP-BINDING; 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	25.51 Å
rg_electron	23.98 Å
i0	73672400.00
molecular_weight	67541.0 kDa
excluded_volume	84806 Å³
envelope_volume	97796 Å³
shell_volume	32668 Å³
envelope_diameter	79.6 Å
shell_rg	32.33 Å
envelope_rg	24.23 Å
shape_rg	23.97 Å
total_rg	24.90 Å
total_atoms	4740
n_residues	615
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	79.1 Å
rg_real	25.36 Å
rg_real_error	0.35 Å
i0_real	7.3670e+07
i0_real_error	9.2590e+05
rg_reciprocal	25.41 Å
i0_reciprocal	73670000.0000
total_estimate	0.7408
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	33.2 Å
skewness	0.153
kurtosis	-0.412
angular_range	— – 0.3100 Å⁻¹
current_alpha	0.0000
highest_alpha	11750000.0000
n_real_points	63
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.906; Stabil: 1.000; Sysdev: 0.315; Positv: 1.000; Valcen: 0.980; Smooth: 0.983

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	THYMIDINE KINASE
formula_weight	35779.1 kDa
ec_number	2.7.1.21
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	4855

MPTLLRVYIDGPHGMGKTTTTQLLVALGSRDDIVYVPEPMTYWRVLGASETIANIYTTQHRLDQGEISAGDAAVVMTSAQITMGMPYAVTDAVLAPHIGGEAGSSHAPPPALTLIFDRHPIAALLCYPAARYLMGSMTPQAVLAFVALIPPTLPGTNIVLGALPEDRHIDRLAKRQRPGERLDLAMLAAIRRVYGLLANTVRYLQCGGSWREDWGQLSGTAVPPQGAEPQSNAGPRPHIGDTLFTLFRAPELLAPNGDLYNVFAWALDVLAKRLRSMHVFILDYDQSPAGCRDALLQLTSGMVQTHVTTPGSIPTICDLARTFAREMGEAN

Source

organism	HERPES SIMPLEX VIRUS TYPE 1
ncbi_taxonomy_id	10298
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	6-[3-HYDROXY-2-(HYDROXYMETHYL)PROPYL]-5-METHYL-2,4(1H,3H)-PYRIMIDINEDIONE
formula_weight	214.2 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	115

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6. Citations (3)

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length_a	113.700 Å
length_b	117.600 Å
length_c	108.300 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	C 2 2 21
int_tables_number	20
crystal_system	—

resolution	2.500 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.2090
r_free	0.2610

fit	/app/data/saxs_computation/e2/1e2p/1e2p.fit
pddf	/app/data/pr_computation/e2/1e2p/1e2p.pr.out
profile	/app/data/saxs_computation/e2/1e2p/1e2p.dat

Thymidine kinase, DHBT

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