SAXSdb — 5zjr

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1. Protein Identity and Related Structures Protein Identity & Related Structures

Homeobox protein abdominal-B

Drosophila melanogaster

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein–DNA Heteromer Protein × 2 DNA 2 PDB declaration: tetrameric（4） Consistent with all polymer counts	Chain A； UniProt 369–452	Not recorded	Homeobox protein extradenticle × 1 （P40427） ;DNA (5'-D(GPTPCPGPTPAPAPAPTPCPAPTPGPC)-3') ; × 1 ;DNA (5'-D(PGPCPAPTPGPAPTPTPTPAPCPGPAPC)-3') ; × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；293 K；90mM MgCl2, 0.1M Tris pH9.0, 22% PEG 3350	Resolution 3.03 Å R-free 0.288

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB	Difference from Current Entry 5ZJR	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
5ZJQ Structure of AbdB/Exd complex bound to a 'Red14' DNA sequence Deposited 2018-03-22	Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain A 369–452（84 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；200mM MgCl2, 0.1M Tris pH 5.8, 17.5% PEG 4000, 5% glycerol	Resolution 2.44 Å R-free 0.252
5ZJS Structure of AbdB/Exd complex bound to a 'Blue14' DNA sequence Deposited 2018-03-22	Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain A 369–452（84 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；200mM MgCl2, 0.1M Tris pH 5.8, 17.5% PEG 3350, 2.5% glycerol	Resolution 2.90 Å R-free 0.281
5ZJT Structure of AbdB/Exd complex bound to a 'Black14' DNA sequence Deposited 2018-03-22	Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain A 369–452（84 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1M Sodium citrate pH 5.3, 25% PEG 3350	Resolution 2.40 Å R-free 0.276
5ZJT Structure of AbdB/Exd complex bound to a 'Black14' DNA sequence Deposited 2018-03-22	Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein–DNA Monomer；Protein × 1 PDB declaration: trimeric	Chain E 369–452（84 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1M Sodium citrate pH 5.3, 25% PEG 3350	Resolution 2.40 Å R-free 0.276

3 other PDB entries and 4 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	ABDB_DROME
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–84； UniProt 369–452

Homeobox protein extradenticle

Drosophila melanogaster

UniProt P40427

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein–DNA Heteromer Protein × 2 DNA 2 PDB declaration: tetrameric（4） Consistent with all polymer counts	Chain B； UniProt 237–310	Not recorded	Homeobox protein abdominal-B × 1 （P09087） ;DNA (5'-D(GPTPCPGPTPAPAPAPTPCPAPTPGPC)-3') ; × 1 ;DNA (5'-D(PGPCPAPTPGPAPTPTPTPAPCPGPAPC)-3') ; × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；293 K；90mM MgCl2, 0.1M Tris pH9.0, 22% PEG 3350	Resolution 3.03 Å R-free 0.288

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB	Difference from Current Entry 5ZJR	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1B8I STRUCTURE OF THE HOMEOTIC UBX/EXD/DNA TERNARY COMPLEX Deposited 1999-02-01	Different construct Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain B 238–300（63 aa） Fragment：HOMEODOMAIN	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；0.6M AMMONIUM PHOSPHATE, pH 4.5, VAPOR DIFFUSION, HANGING DROP	Resolution 2.40 Å R-free 0.304
2R5Y Structure of Scr/Exd complex bound to a consensus Hox-Exd site Deposited 2007-09-04	Different construct Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain B 238–300（63 aa） Fragment：Homeobox TALE-type DNA-binding domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.7；277 K；20% MPD, 10-14% PEG 4000, 0.2M sodium acetate, 0.2M potassium chloride, 0.1M Tris , pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 2.60 Å R-free 0.299
2R5Z Structure of Scr/Exd complex bound to a DNA sequence derived from the fkh gene Deposited 2007-09-04	Different construct Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain B 238–300（63 aa） Fragment：Homeobox TALE-type DNA-binding domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.7；10-14 % PEG 4K, 20 % MPD, 0.1 M Tris, pH 8.7-8.9, 0.2 M Sodium Acetate, 0.2 M Potassium Chloride	Resolution 2.60 Å R-free 0.303
4CYC CRYSTAL STRUCTURE OF A UBX-EXD-DNA COMPLEX INCLUDING THE HEXAPEPTIDE AND UBDA MOTIFS Deposited 2014-04-10	Different construct Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain B 238–312（75 aa） Fragment：HOMEODOMAIN RESIDUES 238-312	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；0.1 M AMMONIUM PHOSPHATE, pH 7.5	Resolution 2.36 Å R-free 0.227
4UUS CRYSTAL STRUCTURE OF A UBX-EXD-DNA COMPLEX INCLUDING THE UBDA MOTIF Deposited 2014-07-31	Different construct Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain B 238–312（75 aa） Fragment：HOMEODOMAIN RESIDUES 238-312	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.5；0.2M AMONIUM SULFATE, 0.1 M TRI-SODIUM-CITRATE PH 4.5, 4% P4000	Resolution 2.55 Å R-free 0.239
4UUS CRYSTAL STRUCTURE OF A UBX-EXD-DNA COMPLEX INCLUDING THE UBDA MOTIF Deposited 2014-07-31	Different construct Different experimental conditions Different structure-quality metrics	Assembly 2 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain F 238–312（75 aa） Fragment：HOMEODOMAIN RESIDUES 238-312	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.5；0.2M AMONIUM SULFATE, 0.1 M TRI-SODIUM-CITRATE PH 4.5, 4% P4000	Resolution 2.55 Å R-free 0.239
5ZJQ Structure of AbdB/Exd complex bound to a 'Red14' DNA sequence Deposited 2018-03-22	Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain B 237–310（74 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；200mM MgCl2, 0.1M Tris pH 5.8, 17.5% PEG 4000, 5% glycerol	Resolution 2.44 Å R-free 0.252
5ZJS Structure of AbdB/Exd complex bound to a 'Blue14' DNA sequence Deposited 2018-03-22	Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain B 237–310（74 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；200mM MgCl2, 0.1M Tris pH 5.8, 17.5% PEG 3350, 2.5% glycerol	Resolution 2.90 Å R-free 0.281
5ZJT Structure of AbdB/Exd complex bound to a 'Black14' DNA sequence Deposited 2018-03-22	Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric	Chain B 237–310（74 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；0.1M Sodium citrate pH 5.3, 25% PEG 3350	Resolution 2.40 Å R-free 0.276
7YB4 Solution structure of homeodomain of EXTRADENTICLE Deposited 2022-06-28	Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 238–300（63 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 5.5；298 K；Ionic strength (raw mmCIF value) 50；Pressure 1 NMR sample composition 0.6 mM [U-13C; U-15N] Homeobox protein Extradenticle, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 0.6 mM [U-13C; U-15N] Homeobox protein Extradenticle, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided

9 other PDB entries and 10 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	EXD_DROME
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 1–74； UniProt 237–310

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	5zjr
Deposition date deposition_date	2018-03-22
Structure title title	Structure of AbdB/Exd complex bound to a 'Magenta14' DNA sequence
Keywords keywords	AbdB, Exd, DNA, shape, specificity, Hox, Homeodomain, TRANSCRIPTION, TRANSCRIPTION-DNA complex; TRANSCRIPTION/DNA
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	18.29 Å
Radius of gyration Rg (electron density) rg_electron	18.14 Å
Forward intensity I(0) i0	15383600.00
Molecular weight molecular_weight	23966.0 kDa
Excluded volume excluded_volume	27603 Å³
Envelope volume envelope_volume	35201 Å³
Hydration-shell volume shell_volume	16720 Å³
Envelope diameter envelope_diameter	67.1 Å
Shell Rg shell_rg	23.73 Å
Envelope Rg envelope_rg	18.36 Å
Shape Rg shape_rg	18.16 Å
Total Rg total_rg	18.86 Å
Total atoms total_atoms	1660
Residues n_residues	166
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	64.3 Å
Rg (real space) rg_real	18.27 Å
Rg uncertainty (real space) rg_real_error	0.47 Å
I(0) (real space) i0_real	1.5380e+07
I(0) uncertainty (real space) i0_real_error	1.8530e+05
Rg (reciprocal space) rg_reciprocal	18.27 Å
I(0) (reciprocal space) i0_reciprocal	15380000.0000
Solution quality estimate total_estimate	0.7792
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	3
Primary peak position r_peak_primary	21.7 Å
Skewness Skewness skewness	0.371
Kurtosis Kurtosis kurtosis	-0.121
Angular range angular_range	— – 0.4350 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	2504000.0000
Real-space data points n_real_points	75
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.715; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.982; Smooth: 0.000

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (4)

Entity 1 Entity 1 polymer

Description description	Homeobox protein abdominal-B
Molecular weight formula_weight	10195.8 kDa
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	1660

VGPCTPNPGLHEWTGQVSVRKKRKPYSKFQTLELEKEFLFNAYVSKQKRWELARNLQLTERQVKIWFQNRRMKNKKNSQRQANQ

来源 Source

来源生物 organism	Drosophila melanogaster
通用名 common_name	Fruit fly
NCBI Class编号 ncbi_taxonomy_id	7227
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 polymer

Description description	Homeobox protein extradenticle
Molecular weight formula_weight	8773.8 kDa
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B

DARRKRRNFSKQASEILNEYFYSHLSNPYPSEEAKEELARKCGITVSQVSNWFGNKRIRYKKNIGKAQEEANLY

来源 Source

来源生物 organism	Drosophila melanogaster
通用名 common_name	Fruit fly
NCBI Class编号 ncbi_taxonomy_id	7227
宿主生物 host_organism	Escherichia coli

Entity 3 Entity 3 polymer

Description description	;DNA (5'-D(GPTPCPGPTPAPAPAPTPCPAPTPGPC)-3') ;
Molecular weight formula_weight	4279.8 kDa
Source method src_method	syn
Copy count entity_count	1

Polymer Polymer

Polymer type type	polydeoxyribonucleotide
Chain IDs strand_id	C

GTCGTAAATCATGC

Entity 4 Entity 4 polymer

Description description	;DNA (5'-D(PGPCPAPTPGPAPTPTPTPAPCPGPAPC)-3') ;
Molecular weight formula_weight	4279.8 kDa
Source method src_method	syn
Copy count entity_count	1

Polymer Polymer

Polymer type type	polydeoxyribonucleotide
Chain IDs strand_id	D

GCATGATTTACGAC

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7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id	5zjrA00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	10 — Arc Repressor Mutant, subunit A
Homologous superfamily homologous superfamily	60 — Homeodomain-like

Domain ID domain_id	5zjrB00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	10 — Arc Repressor Mutant, subunit A
Homologous superfamily homologous superfamily	60 — Homeodomain-like

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8. Citations (1)

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Unit-cell length a length_a	77.330 Å
Unit-cell length b length_b	49.445 Å
Unit-cell length c length_c	95.092 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	109.18 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	4

Space group space_group	C 1 2 1
Space-group number int_tables_number	5
Crystal system crystal_system	—

Resolution resolution	3.030 Å
Low-resolution limit resolution_low	44.906 Å
R factor r_factor	0.2697
R_work r_work	0.2687
R_free r_free	0.2880

fit	/app/data/saxs_computation/zj/5zjr/5zjr.fit
pddf	/app/data/pr_computation/zj/5zjr/5zjr.pr.out
profile	/app/data/saxs_computation/zj/5zjr/5zjr.dat

Structure of AbdB/Exd complex bound to a 'Magenta14' DNA sequence

1. Protein Identity and Related Structures Protein Identity & Related Structures

Homeobox protein abdominal-B

State in the Current Structure

Other States of the Same Protein in the Database

Homeobox protein extradenticle

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (4)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

来源 Source

Entity 3 Entity 3 polymer

Polymer Polymer

Entity 4 Entity 4 polymer

Polymer Polymer

7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)