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1amd

;NMR STUDY OF DNA (5'-D(TPGPTPAPCPA)-3') SELF-COMPLEMENTARY DUPLEX COMPLEXED WITH A BIS-DAUNORUBICIN WP-652, MINIMIZED AVERAGE STRUCTURE ;

Method: SOLUTION NMR D_max: 33.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1amd
deposition_date	1997-06-12
title	;NMR STUDY OF DNA (5'-D(TPGPTPAPCPA)-3') SELF-COMPLEMENTARY DUPLEX COMPLEXED WITH A BIS-DAUNORUBICIN WP-652, MINIMIZED AVERAGE STRUCTURE ;
keywords	COMPLEX (DEOXYRIBONUCLEIC ACID-DRUG), BIS-INTERCALATOR, DAUNORUBICIN, DNA, DEOXYRIBONUCLEIC ACID; DNA
method	SOLUTION NMR

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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	10.32 Å
rg_electron	9.26 Å
i0	934335.00
molecular_weight	4750.0 kDa
excluded_volume	5094 Å³
envelope_volume	5526 Å³
shell_volume	5568 Å³
envelope_diameter	30.3 Å
shell_rg	13.80 Å
envelope_rg	9.53 Å
shape_rg	9.13 Å
total_rg	10.51 Å
total_atoms	530
n_residues	12
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	33.3 Å
rg_real	10.28 Å
rg_real_error	0.23 Å
i0_real	9.3430e+05
i0_real_error	8.8190e+03
rg_reciprocal	10.28 Å
i0_reciprocal	934300.0000
total_estimate	0.8979
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	12.2 Å
skewness	0.157
kurtosis	-0.459
angular_range	— – 0.5000 Å⁻¹
current_alpha	0.0000
highest_alpha	43000.0000
n_real_points	80
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.922; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.908

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4. Crystallography & Experiment

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5. Entities & Polymer Info (2)

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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	1

space_group	P 1
int_tables_number	1
crystal_system	—

description	;DNA (5'-D(TPGPTPAPCPA)-3') ;
formula_weight	1808.2 kDa
src_method	syn
entity_count	2

type	polydeoxyribonucleotide
strand_id	A,B
atom_count	530

description	BIS-DAUNORUBICIN
formula_weight	1159.2 kDa
src_method	syn
entity_count	1

;NMR STUDY OF DNA (5'-D(TPGPTPAPCPA)-3') SELF-COMPLEMENTARY DUPLEX COMPLEXED WITH A BIS-DAUNORUBICIN WP-652, MINIMIZED AVERAGE STRUCTURE ;

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

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Entity 2 non-polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

fit	/app/data/saxs_computation/am/1amd/1amd.fit
pddf	/app/data/pr_computation/am/1amd/1amd.pr.out
profile	/app/data/saxs_computation/am/1amd/1amd.dat

;NMR STUDY OF DNA (5'-D(*TP*GP*TP*AP*CP*A)-3') SELF-COMPLEMENTARY DUPLEX COMPLEXED WITH A BIS-DAUNORUBICIN WP-652, MINIMIZED AVERAGE STRUCTURE ;

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

5. Entities & Polymer Info (2)

Entity 1 polymer

Polymer

Entity 2 non-polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)

;NMR STUDY OF DNA (5'-D(TPGPTPAPCPA)-3') SELF-COMPLEMENTARY DUPLEX COMPLEXED WITH A BIS-DAUNORUBICIN WP-652, MINIMIZED AVERAGE STRUCTURE ;