SAXSdb — 4hrg

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

Protein S100-A10

Homo sapiens

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 heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain A； UniProt 1–94 Chain B； UniProt 1–94	Not recorded	Neuroblast differentiation-associated protein AHNAK × 2 （Q09666）	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；0.1 M Tris, 30 % PEG 6000, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	Resolution 2.00 Å R-free 0.217

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 4HRG	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1A4P P11 (S100A10), LIGAND OF ANNEXIN II Deposited 1998-01-30	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 1–96（96 aa） Chain B 1–96（96 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；15 MG/ML PROTEIN WERE CRYSTALLIZED BY VAPOR DIFFUSION AGAINST 20% PEG 4000, 10% 2-PROPANOL, 100MM HEPES, PH=7.5, vapor diffusion	Resolution 2.25 Å R-free 0.303
1A4P P11 (S100A10), LIGAND OF ANNEXIN II Deposited 1998-01-30	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 1–96（96 aa） Chain B 1–96（96 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；15 MG/ML PROTEIN WERE CRYSTALLIZED BY VAPOR DIFFUSION AGAINST 20% PEG 4000, 10% 2-PROPANOL, 100MM HEPES, PH=7.5, vapor diffusion	Resolution 2.25 Å R-free 0.303
1BT6 P11 (S100A10), LIGAND OF ANNEXIN II IN COMPLEX WITH ANNEXIN II N-TERMINUS Deposited 1998-09-02	Different construct Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 1–96（96 aa） Chain B 1–96（96 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；pH 7.5	Resolution 2.40 Å R-free 0.307
1BT6 P11 (S100A10), LIGAND OF ANNEXIN II IN COMPLEX WITH ANNEXIN II N-TERMINUS Deposited 1998-09-02	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain A 1–96（96 aa） Chain B 1–96（96 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；pH 7.5	Resolution 2.40 Å R-free 0.307
4DRW Crystal Structure of the Ternary Complex between S100A10, an Annexin A2 N-terminal Peptide and an AHNAK Peptide Deposited 2012-02-17	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 1–93（93 aa） Fragment：UNP P60903 residues 1-93 and UNP P07355 residues 2-16 Chain B 1–93（93 aa） Fragment：UNP P60903 residues 1-93 and UNP P07355 residues 2-16	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；100mM sodium chloride, 200mM magnesium chloride, 50mM sodium cacodylate, 20% PEG 1000, 0.15mM CYMAL-7, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 3.50 Å R-free 0.327
4DRW Crystal Structure of the Ternary Complex between S100A10, an Annexin A2 N-terminal Peptide and an AHNAK Peptide Deposited 2012-02-17	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric	Chain C 1–93（93 aa） Fragment：UNP P60903 residues 1-93 and UNP P07355 residues 2-16 Chain D 1–93（93 aa） Fragment：UNP P60903 residues 1-93 and UNP P07355 residues 2-16	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；100mM sodium chloride, 200mM magnesium chloride, 50mM sodium cacodylate, 20% PEG 1000, 0.15mM CYMAL-7, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 3.50 Å R-free 0.327
4FTG The crystal structure of an AHNAK peptide in complex with the S100A10/AnxA2 heterotetramer Deposited 2012-06-27	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 2–97（96 aa） Chain B 2–97（96 aa）	Not recorded	IPA ISOPROPYL ALCOHOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；290 K；20% PEG 8000 (w/v), 0.1 M Tris pH 8.5, 10% 2-propanol, VAPOR DIFFUSION, HANGING DROP, temperature 290K	Resolution 2.51 Å R-free 0.251
4HRE Crystal Structure of p11/Annexin A2 Heterotetramer in Complex with SMARCA3 Peptide Deposited 2012-10-27	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain E 2–97（96 aa） Chain F 2–97（96 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 3.7；293 K；0.1 M citric acid, 25% PEG 3350, pH 3.7, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K	Resolution 2.79 Å R-free 0.296
4HRE Crystal Structure of p11/Annexin A2 Heterotetramer in Complex with SMARCA3 Peptide Deposited 2012-10-27	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain I 2–97（96 aa） Chain J 2–97（96 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 3.7；293 K；0.1 M citric acid, 25% PEG 3350, pH 3.7, VAPOR DIFFUSION, SITTING DROP, temperature 293.0K	Resolution 2.79 Å R-free 0.296
4HRH Crystal Structure of p11-Annexin A2(N-terminal) Fusion Protein in Complex with SMARCA3 Peptide Deposited 2012-10-27	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 1–93（93 aa） Chain B 1–93（93 aa）	Not recorded	SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；0.1 M MES, 1.6 M (NH4)2SO4, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	Resolution 3.00 Å R-free 0.263
4HRH Crystal Structure of p11-Annexin A2(N-terminal) Fusion Protein in Complex with SMARCA3 Peptide Deposited 2012-10-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–93（93 aa）	Not recorded	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；0.1 M MES, 1.6 M (NH4)2SO4, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	Resolution 3.00 Å R-free 0.263
4HRH Crystal Structure of p11-Annexin A2(N-terminal) Fusion Protein in Complex with SMARCA3 Peptide Deposited 2012-10-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 1–93（93 aa）	Not recorded	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；0.1 M MES, 1.6 M (NH4)2SO4, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	Resolution 3.00 Å R-free 0.263
4HRH Crystal Structure of p11-Annexin A2(N-terminal) Fusion Protein in Complex with SMARCA3 Peptide Deposited 2012-10-27	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Insufficient information Heteromer；Protein × 12 PDB declaration: dodecameric	Chain A 1–93（93 aa） Chain B 1–93（93 aa）	Not recorded	SO4 SULFATE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；0.1 M MES, 1.6 M (NH4)2SO4, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	Resolution 3.00 Å R-free 0.263

6 other PDB entries and 13 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	S10AA_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 2–111； UniProt 1–94 Author chain B； PDBConstruct 2–111； UniProt 1–94

Neuroblast differentiation-associated protein AHNAK

OrganismNot specified

UniProt Q09666

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 heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain C； UniProt 5655–5668 Chain D； UniProt 5655–5668	Not recorded	Protein S100-A10 × 2 （P60903）	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；0.1 M Tris, 30 % PEG 6000, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	Resolution 2.00 Å R-free 0.217

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 4HRG	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
4DRW Crystal Structure of the Ternary Complex between S100A10, an Annexin A2 N-terminal Peptide and an AHNAK Peptide Deposited 2012-02-17	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric	Chain E 5654–5673（20 aa） Fragment：UNP Q09666 residues 5654-5673	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；100mM sodium chloride, 200mM magnesium chloride, 50mM sodium cacodylate, 20% PEG 1000, 0.15mM CYMAL-7, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 3.50 Å R-free 0.327
4DRW Crystal Structure of the Ternary Complex between S100A10, an Annexin A2 N-terminal Peptide and an AHNAK Peptide Deposited 2012-02-17	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric	Chain F 5654–5673（20 aa） Fragment：UNP Q09666 residues 5654-5673	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；100mM sodium chloride, 200mM magnesium chloride, 50mM sodium cacodylate, 20% PEG 1000, 0.15mM CYMAL-7, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 3.50 Å R-free 0.327
4FTG The crystal structure of an AHNAK peptide in complex with the S100A10/AnxA2 heterotetramer Deposited 2012-06-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain E 5654–5673（20 aa） Fragment：AHNAK peptide (UNP residues 5654-5673)	Non-standard monomer：Yes (specific site not provided by mmCIF)	IPA ISOPROPYL ALCOHOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；290 K；20% PEG 8000 (w/v), 0.1 M Tris pH 8.5, 10% 2-propanol, VAPOR DIFFUSION, HANGING DROP, temperature 290K	Resolution 2.51 Å R-free 0.251

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

View Construct and Data Evidence

UniProt name	AHNK_HUMAN
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain C； PDBConstruct 2–15； UniProt 5655–5668 Author chain D； PDBConstruct 2–15； UniProt 5655–5668

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	4hrg
Deposition date deposition_date	2012-10-27
Structure title title	Crystal Structure of p11-Annexin A2(N-terminal) Fusion Protein in Complex with AHNAK1 Peptide
Keywords keywords	EF-hand, Calcium-binding protein; Calcium-binding protein
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	18.94 Å
Radius of gyration Rg (electron density) rg_electron	17.70 Å
Forward intensity I(0) i0	13311500.00
Molecular weight molecular_weight	28148.0 kDa
Excluded volume excluded_volume	35550 Å³
Envelope volume envelope_volume	40787 Å³
Hydration-shell volume shell_volume	18909 Å³
Envelope diameter envelope_diameter	58.1 Å
Shell Rg shell_rg	24.21 Å
Envelope Rg envelope_rg	18.07 Å
Shape Rg shape_rg	17.72 Å
Total Rg total_rg	18.64 Å
Total atoms total_atoms	1972
Residues n_residues	243
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	57.9 Å
Rg (real space) rg_real	18.81 Å
Rg uncertainty (real space) rg_real_error	0.27 Å
I(0) (real space) i0_real	1.3310e+07
I(0) uncertainty (real space) i0_real_error	1.4840e+05
Rg (reciprocal space) rg_reciprocal	18.83 Å
I(0) (reciprocal space) i0_reciprocal	13310000.0000
Solution quality estimate total_estimate	0.9018
Solution quality rating solution_quality	EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	24.1 Å
Skewness Skewness skewness	0.110
Kurtosis Kurtosis kurtosis	-0.484
Angular range angular_range	— – 0.4200 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	2605000.0000
Real-space data points n_real_points	73
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.914; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.985; Smooth: 0.992

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Description description	Protein S100-A10
Molecular weight formula_weight	13269.3 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	2101

SMPSQMEHAMETMMFTFHKFAGDKGYLTKEDLRVLMEKEFPGFLENQKDPLAVDKIMKDLDQCRDGKVGFQSFFSLIAGLTIACNDYFVVHMKQENLYFQGDSTVHEILSKLSLE

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 polymer

Description description	Neuroblast differentiation-associated protein AHNAK
Molecular weight formula_weight	1844.3 kDa
Source method src_method	syn
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	C,D

QKVTFPKMKIPKFTF

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	129

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7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id	4hrgA00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	238 — Recoverin; domain 1
Homologous superfamily homologous superfamily	10 — EF-hand

Domain ID domain_id	4hrgB00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	238 — Recoverin; domain 1
Homologous superfamily homologous superfamily	10 — EF-hand

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8. Citations (1)

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Unit-cell length a length_a	46.278 Å
Unit-cell length b length_b	55.645 Å
Unit-cell length c length_c	60.616 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	105.98 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	4

Space group space_group	P 1 21 1
Space-group number int_tables_number	4
Crystal system crystal_system	—

Resolution resolution	2.000 Å
Low-resolution limit resolution_low	14.990 Å
R factor r_factor	0.1921
R_work r_work	0.1908
R_free r_free	0.2171

fit	/app/data/saxs_computation/hr/4hrg/4hrg.fit
pddf	/app/data/pr_computation/hr/4hrg/4hrg.pr.out
profile	/app/data/saxs_computation/hr/4hrg/4hrg.dat

Crystal Structure of p11-Annexin A2(N-terminal) Fusion Protein in Complex with AHNAK1 Peptide

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

Protein S100-A10

State in the Current Structure

Other States of the Same Protein in the Database

Neuroblast differentiation-associated protein AHNAK

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

6. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

Entity 3 Entity 3 water

7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)