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1aqy

ESTROGEN SULFOTRANSFERASE WITH PAP

Method: X-RAY DIFFRACTION Dmax: 90.7 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

ESTROGEN SULFOTRANSFERASE

Mus musculus

UniProt P49891

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 homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain A； UniProt 1–295 Chain B； UniProt 1–295 Not recorded A3P ADENOSINE-3'-5'-DIPHOSPHATE × 2 X-RAY DIFFRACTION X-ray crystallization conditions：pH 6.5；pH 6.5 Resolution 1.75 Å R-free 0.248

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 1AQY Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1AQU ESTROGEN SULFOTRANSFERASE WITH BOUND INACTIVE COFACTOR PAP AND 17-BETA ESTRADIOL Deposited 1997-08-01 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–295（295 aa）
Chain B 1–295（295 aa）
Not recorded A3P ADENOSINE-3'-5'-DIPHOSPHATE × 2 EST ESTRADIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；EST WAS CRYSTALLIZED IN THE PRESENCE OF 4MM A3P AND THEN SOAKED IN A SATURATED SOLUTION OF 17BETA-ESTRADIOL., pH 6.5
Resolution 1.60 Å R-free 0.251
1BO6 ESTROGEN SULFOTRANSFERASE WITH INACTIVE COFACTOR PAP AND VANADATE Deposited 1998-08-10 Different ligand/ion Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–295（295 aa）
Chain B 1–295（295 aa）
Not recorded VO4 VANADATE ION × 2 A3P ADENOSINE-3'-5'-DIPHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.10 Å R-free 0.249

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

View Construct and Data Evidence
UniProt name ST1E1_MOUSE
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 3–297； UniProt 1–295 Author chain B； PDBConstruct 3–297； UniProt 1–295

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.

SAXS scattering curve SAXS Profile

SAXS profile for 1aqy

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1aqy
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1aqy
Deposition date deposition_date1997-08-04
Structure title titleESTROGEN SULFOTRANSFERASE WITH PAP
Keywords keywordsTRANSFERASE, PAP, SULFOTRANSFERASE, SULFONATION, ESTROGEN, 17-BETA ESTRADIOL, STEROID-BINDING; TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier28.81 Å
Radius of gyration Rg (electron density) rg_electron28.14 Å
Forward intensity I(0) i074294800.00
Molecular weight molecular_weight68813.0 kDa
Excluded volume excluded_volume86546 ų
Envelope volume envelope_volume107740 ų
Hydration-shell volume shell_volume32472 ų
Envelope diameter envelope_diameter94.9 Å
Shell Rg shell_rg34.86 Å
Envelope Rg envelope_rg28.08 Å
Shape Rg shape_rg28.13 Å
Total Rg total_rg28.85 Å
Total atoms total_atoms4836
Residues n_residues563
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax90.7 Å
Rg (real space) rg_real28.86 Å
Rg uncertainty (real space) rg_real_error0.59 Å
I(0) (real space) i0_real7.4290e+07
I(0) uncertainty (real space) i0_real_error1.0330e+06
Rg (reciprocal space) rg_reciprocal28.85 Å
I(0) (reciprocal space) i0_reciprocal74290000.0000
Solution quality estimate total_estimate0.8851
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary29.7 Å
Skewness Skewness skewness0.391
Kurtosis Kurtosis kurtosis-0.485
Angular range angular_range— – 0.2750 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha29210000.0000
Real-space data points n_real_points56
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.895; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.972; Smooth: 0.845
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd1aqya_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.37 — P-loop containing nucleoside triphosphate hydrolases
Superfamily Superfamily superfamilyc.37.1 — P-loop containing nucleoside triphosphate hydrolases
Family Family familyc.37.1.5 — PAPS sulfotransferase
Domain ID domain_idd1aqyb_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.37 — P-loop containing nucleoside triphosphate hydrolases
Superfamily Superfamily superfamilyc.37.1 — P-loop containing nucleoside triphosphate hydrolases
Family Family familyc.37.1.5 — PAPS sulfotransferase

CATH v4.4 (2 domains)

Domain ID domain_id1aqyA00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily300 — P-loop containing nucleotide triphosphate hydrolases
Domain ID domain_id1aqyB00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily300 — P-loop containing nucleotide triphosphate hydrolases
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8. Citations (1)

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9. Files and Curves (10)