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1b02

CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS

Method: X-RAY DIFFRACTION Dmax: 62.0 Å Quality: EXCELLENT
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1. Protein Identity and Related Structures Protein Identity & Related Structures

PROTEIN (THYMIDYLATE SYNTHASE)

Bacillus subtilis

UniProt P42326

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 monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain A； UniProt 1–279 Not recorded UFP 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE × 1 C2F 5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACID × 1 X-RAY DIFFRACTION X-ray crystallization conditions：pH 6.25；pH 6.25 Resolution 2.50 Å R-free 0.233

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 1B02 Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1BKO THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS Deposited 1998-07-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–279（278 aa）
Chain B 2–279（278 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.75 Å R-free 0.320
1BKO THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS Deposited 1998-07-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 2–279（278 aa）
Chain D 2–279（278 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.75 Å R-free 0.320
1BKP THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS Deposited 1998-07-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–279（278 aa）
Chain B 2–279（278 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 1.70 Å R-free 0.206
1BSF THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS Deposited 1998-07-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–279（278 aa）
Chain B 2–279（278 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.20 Å R-free 0.301
1BSP THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS Deposited 1998-07-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–279（278 aa）
Chain B 2–279（278 aa）
Not recorded PO4 PHOSPHATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.50 Å R-free 0.260

4 other PDB entries and 5 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name TYSA_BACSU
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–279； UniProt 1–279

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 1b02

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1b02
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1b02
Deposition date deposition_date1998-11-16
Structure title titleCRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
Keywords keywordsTRANSFERASE, METHYLTRANSFERASE; 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_guinier20.00 Å
Radius of gyration Rg (electron density) rg_electron18.65 Å
Forward intensity I(0) i019618100.00
Molecular weight molecular_weight33584.0 kDa
Excluded volume excluded_volume41903 ų
Envelope volume envelope_volume47370 ų
Hydration-shell volume shell_volume20821 ų
Envelope diameter envelope_diameter62.9 Å
Shell Rg shell_rg25.46 Å
Envelope Rg envelope_rg18.98 Å
Shape Rg shape_rg18.64 Å
Total Rg total_rg19.61 Å
Total atoms total_atoms2369
Residues n_residues279
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 dmax62.0 Å
Rg (real space) rg_real19.85 Å
Rg uncertainty (real space) rg_real_error0.26 Å
I(0) (real space) i0_real1.9620e+07
I(0) uncertainty (real space) i0_real_error2.2860e+05
Rg (reciprocal space) rg_reciprocal19.88 Å
I(0) (reciprocal space) i0_reciprocal19620000.0000
Solution quality estimate total_estimate0.9008
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary25.7 Å
Skewness Skewness skewness0.150
Kurtosis Kurtosis kurtosis-0.417
Angular range angular_range— – 0.3950 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha3770000.0000
Real-space data points n_real_points71
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.909; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.993
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (4)

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7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd1b02a_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.117 — Thymidylate synthase/dCMP hydroxymethylase
Superfamily Superfamily superfamilyd.117.1 — Thymidylate synthase/dCMP hydroxymethylase
Family Family familyd.117.1.1 — Thymidylate synthase/dCMP hydroxymethylase

CATH v4.4 (1 domains)

Domain ID domain_id1b02A00
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology572 — Thymidylate Synthase; Chain A
Homologous superfamily homologous superfamily10 — Thymidylate synthase/dCMP hydroxymethylase domain
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8. Citations (1)

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9. Files and Curves (10)