SAXSdb — 3g6b

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

Methyl-accepting chemotaxis protein

Thermotoga maritima

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 41–253 Chain B； UniProt 41–253	Mutation：N217I	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；Dioxane, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 3.00 Å R-free 0.305

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 3G6B	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
3G67 Crystal Structure of a Soluble Chemoreceptor from Thermotoga maritima Deposited 2009-02-06	Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 41–253（213 aa） Chain B 41–253（213 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.17 Å R-free 0.278
3UR1 The structure of a ternary complex between CheA domains P4 and P5 with CheW and with a truncated fragment of TM14, a chemoreceptor analog from Thermotoga maritima. Deposited 2011-11-21	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 107–191（85 aa） Fragment：unp residues 107-191 Chain D 107–191（85 aa） Fragment：unp residues 107-191	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；pH 8.5；293 K；0.2 M sodium acetate trihydrate, 0.1 M Tris, 15% w/v Polyethylene glycol 4,000, pH 8.5, EVAPORATION, temperature 293K	Resolution 4.50 Å R-free 0.291
4JPB The structure of a ternary complex between CheA domains P4 and P5 with CheW and with an unzipped fragment of TM14, a chemoreceptor analog from Thermotoga maritima. Deposited 2013-03-19	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 107–192（86 aa） Chain C 107–192（86 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Cubic shaped crystals (50x50x50 um3) were grown from a mixture of 520 uM Tm14s, 457 uM CheA 354 and 121 uM CheW after 1 month by vapor diffusion from a 2 ul drop (1:1 mixture of protein and reservoir: 500 ul reservoir of 0.2 M sodium acetate trihydrate, 0.1 M Tris (pH 8.5), 15% w/v polyethylene glycol 4,000), VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 3.19 Å R-free 0.220

3 other PDB entries and 3 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	Q7DFA3_THEMA
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–213； UniProt 41–253 Author chain B； PDBConstruct 1–213； UniProt 41–253

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	3g6b
Deposition date deposition_date	2009-02-06
Structure title title	Crystal structure of a Soluble Chemoreceptor from Thermotoga maritima Asn217Ile mutant
Keywords keywords	four-helix bundle, methyl-accepting chemotaxis protein, SIGNALING PROTEIN; SIGNALING PROTEIN
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	43.43 Å
Radius of gyration Rg (electron density) rg_electron	45.37 Å
Forward intensity I(0) i0	38190100.00
Molecular weight molecular_weight	48086.0 kDa
Excluded volume excluded_volume	59895 Å³
Envelope volume envelope_volume	80798 Å³
Hydration-shell volume shell_volume	20007 Å³
Envelope diameter envelope_diameter	170.1 Å
Shell Rg shell_rg	34.48 Å
Envelope Rg envelope_rg	46.65 Å
Shape Rg shape_rg	45.42 Å
Total Rg total_rg	44.49 Å
Total atoms total_atoms	3365
Residues n_residues	425
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	166.0 Å
Rg (real space) rg_real	44.69 Å
Rg uncertainty (real space) rg_real_error	3.10 Å
I(0) (real space) i0_real	3.8190e+07
I(0) uncertainty (real space) i0_real_error	7.5980e+05
Rg (reciprocal space) rg_reciprocal	43.44 Å
I(0) (reciprocal space) i0_reciprocal	38140000.0000
Solution quality estimate total_estimate	0.5886
Solution quality rating solution_quality	REASONABLE a REASONABLE solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	23.1 Å
Skewness Skewness skewness	0.697
Kurtosis Kurtosis kurtosis	-0.350
Angular range angular_range	— – 0.1800 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	1040000.0000
Real-space data points n_real_points	37
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.028; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.007; Smooth: 0.568

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (2)

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7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id	3g6bA00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	287 — Helix Hairpins
Homologous superfamily homologous superfamily	950 — Methyl-accepting chemotaxis protein

Domain ID domain_id	3g6bB00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	287 — Helix Hairpins
Homologous superfamily homologous superfamily	950 — Methyl-accepting chemotaxis protein

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8. Citations (1)

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Unit-cell length a length_a	69.353 Å
Unit-cell length b length_b	25.698 Å
Unit-cell length c length_c	119.920 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	94.13 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	4

Space group space_group	P 1 21 1
Space-group number int_tables_number	4
Crystal system crystal_system	—

Resolution resolution	3.000 Å
Low-resolution limit resolution_low	20.000 Å
R factor r_factor	—
R_work r_work	0.2590
R_free r_free	0.3050

Description description	Methyl-accepting chemotaxis protein
Molecular weight formula_weight	24133.3 kDa
Mutation mutation	N217I
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	3781

Crystal structure of a Soluble Chemoreceptor from Thermotoga maritima Asn217Ile mutant

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

Methyl-accepting chemotaxis protein

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) 2 domains

CATH v4.4 (2 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)

来源生物 organism	Thermotoga maritima
NCBI Class编号 ncbi_taxonomy_id	2336
宿主生物 host_organism	Escherichia coli

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	416

fit	/app/data/saxs_computation/g6/3g6b/3g6b.fit
pddf	/app/data/pr_computation/g6/3g6b/3g6b.pr.out
profile	/app/data/saxs_computation/g6/3g6b/3g6b.dat