SAXSdb — 1gtq

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

6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE

Rattus rattus

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 × 6 PDB declaration: hexameric（6） Consistent with protein copy count	Chain A； UniProt 5–144 Chain B； UniProt 5–144	Not recorded	ZN ZINC ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions：pH 9；pH 9.0	Resolution 2.30 Å

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 1GTQ	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1B66 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE Deposited 1999-01-20	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric	Chain A 5–144（140 aa） Chain B 5–144（140 aa）	Not recorded	ZN ZINC ION × 6 BIO BIOPTERIN × 6	X-RAY DIFFRACTION X-ray crystallization conditions pH 9.2；pH 9.2	Resolution 1.90 Å R-free 0.258
1B66 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE Deposited 1999-01-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain A 5–144（140 aa）	Not recorded	ZN ZINC ION × 3 BIO BIOPTERIN × 3	X-RAY DIFFRACTION X-ray crystallization conditions pH 9.2；pH 9.2	Resolution 1.90 Å R-free 0.258
1B66 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE Deposited 1999-01-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric	Chain B 5–144（140 aa）	Not recorded	ZN ZINC ION × 3 BIO BIOPTERIN × 3	X-RAY DIFFRACTION X-ray crystallization conditions pH 9.2；pH 9.2	Resolution 1.90 Å R-free 0.258
1B6Z 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE Deposited 1999-01-18	Different construct 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 5–144（140 aa） Fragment：PTERIN BINDING DOMAIN Chain B 5–144（140 aa） Fragment：PTERIN BINDING DOMAIN	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 9.2；1.6 M AMMONIUM SULFATE 0.1 M TRIS/HCL, PH 9.2	Resolution 2.00 Å R-free 0.256
1B6Z 6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE Deposited 1999-01-18	Different construct Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric	Chain A 5–144（140 aa） Fragment：PTERIN BINDING DOMAIN Chain B 5–144（140 aa） Fragment：PTERIN BINDING DOMAIN	Not recorded	ZN ZINC ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions pH 9.2；1.6 M AMMONIUM SULFATE 0.1 M TRIS/HCL, PH 9.2	Resolution 2.00 Å R-free 0.256

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

View Construct and Data Evidence

UniProt name	PTPS_RAT
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–140； UniProt 5–144 Author chain B； PDBConstruct 1–140； UniProt 5–144

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	1gtq
Deposition date deposition_date	1995-09-16
Structure title title	6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE
Keywords keywords	PHOSPHATE ELIMINATION, PTERINE SYNTHESIS, TETRAHYDROBIOPTERIN BIOSYNTHESIS; TETRAHYDROBIOPTERIN BIOSYNTHESIS
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	27.28 Å
Radius of gyration Rg (electron density) rg_electron	26.44 Å
Forward intensity I(0) i0	17074000.00
Molecular weight molecular_weight	31403.0 kDa
Excluded volume excluded_volume	39284 Å³
Envelope volume envelope_volume	52506 Å³
Hydration-shell volume shell_volume	18262 Å³
Envelope diameter envelope_diameter	94.5 Å
Shell Rg shell_rg	30.87 Å
Envelope Rg envelope_rg	26.27 Å
Shape Rg shape_rg	26.44 Å
Total Rg total_rg	27.00 Å
Total atoms total_atoms	2702
Residues n_residues	276
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	92.5 Å
Rg (real space) rg_real	27.61 Å
Rg uncertainty (real space) rg_real_error	0.89 Å
I(0) (real space) i0_real	1.7070e+07
I(0) uncertainty (real space) i0_real_error	2.6560e+05
Rg (reciprocal space) rg_reciprocal	27.51 Å
I(0) (reciprocal space) i0_reciprocal	17070000.0000
Solution quality estimate total_estimate	0.8110
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	20.7 Å
Skewness Skewness skewness	0.484
Kurtosis Kurtosis kurtosis	-0.518
Angular range angular_range	— – 0.2900 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	2165000.0000
Real-space data points n_real_points	59
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.758; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.558; Smooth: 0.709

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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	6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE
Molecular weight formula_weight	15875.2 kDa
EC 编号 ec_number	4.6.1.10
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	2942

VGLRRRARLSRLVSFSASHRLHSPSLSAEENLKVFGKCNNPNGHGHNYKVVVTIHGEIDPVTGMVMNLTDLKEYMEEAIMKPLDHKNLDLDVPYFADVVSTTENVAVYIWENLQRLLPVGALYKVKVYETDNNIVVYKGE

来源 Source

来源生物 organism	Rattus rattus
通用名 common_name	black rat
NCBI Class编号 ncbi_taxonomy_id	10117
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	ZINC ION
Molecular weight formula_weight	65.4 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	80

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d1gtqa_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.96 — T-fold
Superfamily Superfamily superfamily	d.96.1 — Tetrahydrobiopterin biosynthesis enzymes-like
Family Family family	d.96.1.2 — 6-pyruvoyl tetrahydropterin synthase

Domain ID domain_id	d1gtqb_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.96 — T-fold
Superfamily Superfamily superfamily	d.96.1 — Tetrahydrobiopterin biosynthesis enzymes-like
Family Family family	d.96.1.2 — 6-pyruvoyl tetrahydropterin synthase

CATH v4.4 (2 domains)

Domain ID domain_id	1gtqA00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	479 — Tetrahydropterin Synthase; Chain A
Homologous superfamily homologous superfamily	10 — 6-pyruvoyl tetrahydropterin synthase/QueD

Domain ID domain_id	1gtqB00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	479 — Tetrahydropterin Synthase; Chain A
Homologous superfamily homologous superfamily	10 — 6-pyruvoyl tetrahydropterin synthase/QueD

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8. Citations (1)

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Unit-cell length a length_a	122.300 Å
Unit-cell length b length_b	122.300 Å
Unit-cell length c length_c	61.600 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	120.00 °
Molecules per unit cell Z z_pdb	12

Space group space_group	P 3 2 1
Space-group number int_tables_number	150
Crystal system crystal_system	—

Resolution resolution	2.300 Å
Low-resolution limit resolution_low	8.000 Å
R factor r_factor	0.2040
R_work r_work	0.2040
R_free r_free	—

fit	/app/data/saxs_computation/gt/1gtq/1gtq.fit
pddf	/app/data/pr_computation/gt/1gtq/1gtq.pr.out
profile	/app/data/saxs_computation/gt/1gtq/1gtq.dat

6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE

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

6-PYRUVOYL TETRAHYDROPTERIN SYNTHASE

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 (3)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 non-polymer

Entity 3 Entity 3 water

7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

CATH v4.4 (2 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)