SAXSdb — 1cq3

▼

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

VIRAL CHEMOKINE INHIBITOR

Cowpox virus

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 24–255 Chain B； UniProt 24–255	Fragment：NATIVE PROTEIN	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 8；285 K；22% (w/v) PEG8K,10% Glycerol, 50 mM Tris-HCl pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 285K	Resolution 1.85 Å R-free 0.242

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.

No other PDB entry for the same UniProt protein was found.

View Construct and Data Evidence

UniProt name	O73568_COWPX
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 13–233； UniProt 24–255 Author chain B； PDBConstruct 13–233； UniProt 24–255

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.

▼

2. Structure Basics 2. Structure Basics

Entry ID entry_id	1cq3
Deposition date deposition_date	1999-08-05
Structure title title	STRUCTURE OF A SOLUBLE SECRETED CHEMOKINE INHIBITOR, VCCI, FROM COWPOX VIRUS
Keywords keywords	BETA SANDWICH, CHEMOKINE, CYTOKINE; CYTOKINE
Experimental Method method	X-RAY DIFFRACTION

▼

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	25.49 Å
Radius of gyration Rg (electron density) rg_electron	24.40 Å
Forward intensity I(0) i0	43604900.00
Molecular weight molecular_weight	48428.0 kDa
Excluded volume excluded_volume	59462 Å³
Envelope volume envelope_volume	73711 Å³
Hydration-shell volume shell_volume	25174 Å³
Envelope diameter envelope_diameter	84.5 Å
Shell Rg shell_rg	31.41 Å
Envelope Rg envelope_rg	24.35 Å
Shape Rg shape_rg	24.40 Å
Total Rg total_rg	25.16 Å
Total atoms total_atoms	3374
Residues n_residues	448
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

▼

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	79.7 Å
Rg (real space) rg_real	25.41 Å
Rg uncertainty (real space) rg_real_error	0.52 Å
I(0) (real space) i0_real	4.3600e+07
I(0) uncertainty (real space) i0_real_error	6.8430e+05
Rg (reciprocal space) rg_reciprocal	25.44 Å
I(0) (reciprocal space) i0_reciprocal	43610000.0000
Solution quality estimate total_estimate	0.9105
Solution quality rating solution_quality	EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	29.6 Å
Skewness Skewness skewness	0.143
Kurtosis Kurtosis kurtosis	-0.679
Angular range angular_range	— – 0.3100 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	4620000.0000
Real-space data points n_real_points	63
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.955; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.968

▶

5. Crystallography and Experiment 5. Crystallography & Experiment

▶

6. Entities and Polymers Entities & Polymers (2)

▼

7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d1cq3a_
Class class	b — All beta proteins
Fold Fold fold	b.27 — Soluble secreted chemokine inhibitor, VCCI
Superfamily Superfamily superfamily	b.27.1 — Soluble secreted chemokine inhibitor, VCCI
Family Family family	b.27.1.1 — Soluble secreted chemokine inhibitor, VCCI

Domain ID domain_id	d1cq3b_
Class class	b — All beta proteins
Fold Fold fold	b.27 — Soluble secreted chemokine inhibitor, VCCI
Superfamily Superfamily superfamily	b.27.1 — Soluble secreted chemokine inhibitor, VCCI
Family Family family	b.27.1.1 — Soluble secreted chemokine inhibitor, VCCI

CATH v4.4 (2 domains)

Domain ID domain_id	1cq3A00
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	240 — Viral Chemokine Inhibitor; Chain A
Homologous superfamily homologous superfamily	10 — Major secreted virus protein

Domain ID domain_id	1cq3B00
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	240 — Viral Chemokine Inhibitor; Chain A
Homologous superfamily homologous superfamily	10 — Major secreted virus protein

▶

8. Citations (1)

▶

Unit-cell length a length_a	61.699 Å
Unit-cell length b length_b	64.423 Å
Unit-cell length c length_c	245.288 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	16

Space group space_group	C 2 2 21
Space-group number int_tables_number	20
Crystal system crystal_system	—

Resolution resolution	1.850 Å
Low-resolution limit resolution_low	20.000 Å
R factor r_factor	0.2130
R_work r_work	0.2130
R_free r_free	0.2420

Description description	VIRAL CHEMOKINE INHIBITOR
Molecular weight formula_weight	25383.0 kDa
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	3840

STRUCTURE OF A SOLUBLE SECRETED CHEMOKINE INHIBITOR, VCCI, FROM COWPOX VIRUS

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

VIRAL CHEMOKINE INHIBITOR

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 (2)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 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)

来源生物 organism	Cowpox virus
NCBI Class编号 ncbi_taxonomy_id	10243
宿主生物 host_organism	Saccharomyces cerevisiae

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	466

fit	/app/data/saxs_computation/cq/1cq3/1cq3.fit
pddf	/app/data/pr_computation/cq/1cq3/1cq3.pr.out
profile	/app/data/saxs_computation/cq/1cq3/1cq3.dat