SAXSdb — 1bsf

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

THYMIDYLATE SYNTHASE A

Bacillus subtilis

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 2–279 Chain B； UniProt 2–279	Not recorded	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6.5；pH 6.5	Resolution 2.20 Å R-free 0.301

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 1BSF	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1B02 CRYSTAL STRUCTURE OF THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS Deposited 1998-11-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–279（279 aa）	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
1BKO THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS Deposited 1998-07-09	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 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 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
1BSP THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS Deposited 1998-07-09	Different ligand/ion 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 1–278； UniProt 2–279 Author chain B； PDBConstruct 1–278； UniProt 2–279

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.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	1bsf
Deposition date deposition_date	1998-07-10
Structure title title	THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS
Keywords keywords	METHYLTRANSFERASE, DTMP SYNTHASE; METHYLTRANSFERASE
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	25.02 Å
Radius of gyration Rg (electron density) rg_electron	23.87 Å
Forward intensity I(0) i0	68710200.00
Molecular weight molecular_weight	65160.0 kDa
Excluded volume excluded_volume	81606 Å³
Envelope volume envelope_volume	96658 Å³
Hydration-shell volume shell_volume	32405 Å³
Envelope diameter envelope_diameter	78.8 Å
Shell Rg shell_rg	32.34 Å
Envelope Rg envelope_rg	24.11 Å
Shape Rg shape_rg	23.87 Å
Total Rg total_rg	24.80 Å
Total atoms total_atoms	4602
Residues n_residues	556
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	76.4 Å
Rg (real space) rg_real	24.87 Å
Rg uncertainty (real space) rg_real_error	0.38 Å
I(0) (real space) i0_real	6.8710e+07
I(0) uncertainty (real space) i0_real_error	9.4540e+05
Rg (reciprocal space) rg_reciprocal	24.92 Å
I(0) (reciprocal space) i0_reciprocal	68710000.0000
Solution quality estimate total_estimate	0.9008
Solution quality rating solution_quality	EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	31.5 Å
Skewness Skewness skewness	0.159
Kurtosis Kurtosis kurtosis	-0.420
Angular range angular_range	— – 0.3150 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	10760000.0000
Real-space data points n_real_points	64
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.915; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.975

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (1)

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d1bsfa_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.117 — Thymidylate synthase/dCMP hydroxymethylase
Superfamily Superfamily superfamily	d.117.1 — Thymidylate synthase/dCMP hydroxymethylase
Family Family family	d.117.1.1 — Thymidylate synthase/dCMP hydroxymethylase

Domain ID domain_id	d1bsfb_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.117 — Thymidylate synthase/dCMP hydroxymethylase
Superfamily Superfamily superfamily	d.117.1 — Thymidylate synthase/dCMP hydroxymethylase
Family Family family	d.117.1.1 — Thymidylate synthase/dCMP hydroxymethylase

CATH v4.4 (2 domains)

Domain ID domain_id	1bsfA00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	572 — Thymidylate Synthase; Chain A
Homologous superfamily homologous superfamily	10 — Thymidylate synthase/dCMP hydroxymethylase domain

Domain ID domain_id	1bsfB00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	572 — Thymidylate Synthase; Chain A
Homologous superfamily homologous superfamily	10 — Thymidylate synthase/dCMP hydroxymethylase domain

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8. Citations (3)

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Unit-cell length a length_a	58.982 Å
Unit-cell length b length_b	95.962 Å
Unit-cell length c length_c	143.880 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	8

Space group space_group	P 21 21 21
Space-group number int_tables_number	19
Crystal system crystal_system	—

Resolution resolution	2.200 Å
Low-resolution limit resolution_low	60.000 Å
R factor r_factor	0.1950
R_work r_work	0.1950
R_free r_free	0.3010

Description description	THYMIDYLATE SYNTHASE A
Molecular weight formula_weight	32717.0 kDa
EC 编号 ec_number	2.1.1.45
Source method src_method	man
Copy count entity_count	2

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	4602

THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS

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

THYMIDYLATE SYNTHASE A

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 (1)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

CATH v4.4 (2 domains)

8. Citations (3)

9. Files and Curves (10)

Files (7)

Curves (3)

来源生物 organism	Bacillus subtilis
NCBI Class编号 ncbi_taxonomy_id	1423
宿主生物 host_organism	Escherichia coli

fit	/app/data/saxs_computation/bs/1bsf/1bsf.fit
pddf	/app/data/pr_computation/bs/1bsf/1bsf.pr.out
profile	/app/data/saxs_computation/bs/1bsf/1bsf.dat