SAXSdb — 1a1s

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

ORNITHINE CARBAMOYLTRANSFERASE

Pyrococcus furiosus

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 × 12 PDB declaration: dodecameric（12） Consistent with protein copy count	Chain A； UniProt 2–315	Not recorded	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：pH 4；294 K；THE PROTEIN WAS CRYSTALLIZED FROM 1M NACL, 100 MM ACETATE, PH 4.0, 21 DEGREES C, temperature 294K	Resolution 2.70 Å R-free 0.258

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 1A1S	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1PVV Refined Structure of Pyrococcus furiosus Ornithine Carbamoyltransferase at 1.87 A Deposited 2003-06-29	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric	Chain A 1–315（315 aa）	Not recorded	SO4 SULFATE ION × 24	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；293 K；sodium acetate, ammonium sulfate, glycerol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.87 Å R-free 0.269

1 other PDB entries and 1 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	OTC_PYRFU
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–314； UniProt 2–315

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	1a1s
Deposition date deposition_date	1997-12-15
Structure title title	ORNITHINE CARBAMOYLTRANSFERASE FROM PYROCOCCUS FURIOSUS
Keywords keywords	TRANSCARBAMYLASE; TRANSCARBAMYLASE
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	20.38 Å
Radius of gyration Rg (electron density) rg_electron	19.39 Å
Forward intensity I(0) i0	20706000.00
Molecular weight molecular_weight	34879.0 kDa
Excluded volume excluded_volume	43790 Å³
Envelope volume envelope_volume	49353 Å³
Hydration-shell volume shell_volume	21065 Å³
Envelope diameter envelope_diameter	64.7 Å
Shell Rg shell_rg	25.94 Å
Envelope Rg envelope_rg	19.64 Å
Shape Rg shape_rg	19.39 Å
Total Rg total_rg	20.26 Å
Total atoms total_atoms	2454
Residues n_residues	313
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	63.7 Å
Rg (real space) rg_real	20.28 Å
Rg uncertainty (real space) rg_real_error	0.38 Å
I(0) (real space) i0_real	2.0710e+07
I(0) uncertainty (real space) i0_real_error	2.3780e+05
Rg (reciprocal space) rg_reciprocal	20.30 Å
I(0) (reciprocal space) i0_reciprocal	20710000.0000
Solution quality estimate total_estimate	0.8237
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	24.6 Å
Skewness Skewness skewness	0.199
Kurtosis Kurtosis kurtosis	-0.438
Angular range angular_range	— – 0.3900 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	3964000.0000
Real-space data points n_real_points	71
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.905; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.993; Smooth: 0.000

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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	d1a1sa1
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.78 — ATC-like
Superfamily Superfamily superfamily	c.78.1 — Aspartate/ornithine carbamoyltransferase
Family Family family	c.78.1.1 — Aspartate/ornithine carbamoyltransferase

Domain ID domain_id	d1a1sa2
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.78 — ATC-like
Superfamily Superfamily superfamily	c.78.1 — Aspartate/ornithine carbamoyltransferase
Family Family family	c.78.1.1 — Aspartate/ornithine carbamoyltransferase

CATH v4.4 (2 domains)

Domain ID domain_id	1a1sA01
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	1370 — Aspartate/ornithine carbamoyltransferase

Domain ID domain_id	1a1sA02
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	1370 — Aspartate/ornithine carbamoyltransferase

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8. Citations (1)

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Unit-cell length a length_a	186.800 Å
Unit-cell length b length_b	186.800 Å
Unit-cell length c length_c	186.800 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	48

Space group space_group	F 2 3
Space-group number int_tables_number	196
Crystal system crystal_system	—

Resolution resolution	2.700 Å
Low-resolution limit resolution_low	10.000 Å
R factor r_factor	0.2260
R_work r_work	0.2260
R_free r_free	0.2580

Description description	ORNITHINE CARBAMOYLTRANSFERASE
Molecular weight formula_weight	35098.2 kDa
EC 编号 ec_number	2.1.3.3
Source method src_method	man
Copy count entity_count	1

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	2454

ORNITHINE CARBAMOYLTRANSFERASE FROM PYROCOCCUS FURIOSUS

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

ORNITHINE CARBAMOYLTRANSFERASE

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 (1)

9. Files and Curves (10)

Files (7)

Curves (3)

来源生物 organism	Pyrococcus furiosus
NCBI Class编号 ncbi_taxonomy_id	2261
宿主生物 host_organism	Saccharomyces cerevisiae

fit	/app/data/saxs_computation/a1/1a1s/1a1s.fit
pddf	/app/data/pr_computation/a1/1a1s/1a1s.pr.out
profile	/app/data/saxs_computation/a1/1a1s/1a1s.dat