SAXSdb — 1bc5

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

CHEMOTAXIS RECEPTOR METHYLTRANSFERASE

Salmonella typhimurium

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 16–284	Not recorded	CHEMOTAXIS RECEPTOR × 1 CO COBALT (II) ION × 1 SAH S-ADENOSYL-L-HOMOCYSTEINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6.8；PROTEIN WAS CRYSTALLIZED FROM 30 % PEG 5000 MME, 25 MM IMIDAZOLE PH 6.8, 15 MM COCL2, 1MM BETA-MERCAPTOETHANOL.	Resolution 2.20 Å R-free 0.288

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 1BC5	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1AF7 CHER FROM SALMONELLA TYPHIMURIUM Deposited 1997-03-22	Different construct 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 11–284（274 aa）	Not recorded	SAH S-ADENOSYL-L-HOMOCYSTEINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.6；MICROSEEDING; 1.2 M AMMONIUM SULFATE, 2% PEG 400, 25 MM SODIUM CITRATE PH 5.6. PRIOR TO DATA COLLECTION CRYSTAL WAS SOAKED IN THE SAME SOLUTION WITH PH ADJUSTED TO 7.0.	Resolution 2.00 Å R-free 0.280

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

View Construct and Data Evidence

UniProt name	CHER_SALTY
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–269； UniProt 16–284

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	1bc5
Deposition date deposition_date	1998-05-05
Structure title title	CHEMOTAXIS RECEPTOR RECOGNITION BY PROTEIN METHYLTRANSFERASE CHER
Keywords keywords	;METHYLTRANSFERASE, PEPTIDE BINDING, CHEMOTAXIS RECEPTOR, COMPLEX (METHYLTRANSFERASE-PEPTIDE), COMPLEX (METHYLTRANSFERASE-PEPTIDE) complex ;; COMPLEX (METHYLTRANSFERASE/PEPTIDE)
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	21.59 Å
Radius of gyration Rg (electron density) rg_electron	20.48 Å
Forward intensity I(0) i0	18153200.00
Molecular weight molecular_weight	32137.0 kDa
Excluded volume excluded_volume	40121 Å³
Envelope volume envelope_volume	46478 Å³
Hydration-shell volume shell_volume	19549 Å³
Envelope diameter envelope_diameter	75.3 Å
Shell Rg shell_rg	26.53 Å
Envelope Rg envelope_rg	20.75 Å
Shape Rg shape_rg	20.43 Å
Total Rg total_rg	21.43 Å
Total atoms total_atoms	2266
Residues n_residues	274
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	74.1 Å
Rg (real space) rg_real	21.57 Å
Rg uncertainty (real space) rg_real_error	0.53 Å
I(0) (real space) i0_real	1.8150e+07
I(0) uncertainty (real space) i0_real_error	2.5310e+05
Rg (reciprocal space) rg_reciprocal	21.58 Å
I(0) (reciprocal space) i0_reciprocal	18150000.0000
Solution quality estimate total_estimate	0.8710
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	22.9 Å
Skewness Skewness skewness	0.313
Kurtosis Kurtosis kurtosis	-0.469
Angular range angular_range	— – 0.3700 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	5282000.0000
Real-space data points n_real_points	69
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.795; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.945; Smooth: 0.990

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	CHEMOTAXIS RECEPTOR METHYLTRANSFERASE
Molecular weight formula_weight	30992.4 kDa
EC 编号 ec_number	2.1.1.80
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	2387

MTQRLALSDAHFRRICQLIYQRAGIVLADHKRDMVYNRLVRRLRALGLDDFGRYLSMLEANQNSAEWQAFINALTTNLTAFFREAHHFPILAEHARRRHGEYRVWSAAASTGEEPYSIAITLADALGMAPGRWKVFASDIDTEVLEKARSGIYRLSELKTLSPQQLQRYFMRGTGPHEGLVRVRQELANYVEFSSVNLLEKQYNVPGPFDAIFCRNVMIYFDKTTQEDILRRFVPLLKPDGLLFAGHSENFSNLVREFSLRGQTVYALS

来源 Source

来源生物 organism	Salmonella typhimurium
NCBI Class编号 ncbi_taxonomy_id	602
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 polymer

Description description	CHEMOTAXIS RECEPTOR
Molecular weight formula_weight	721.8 kDa
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	T

XNWETF

Entity 3 Entity 3 non-polymer

Description description	COBALT (II) ION
Molecular weight formula_weight	58.9 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 non-polymer

Description description	S-ADENOSYL-L-HOMOCYSTEINE
Molecular weight formula_weight	384.4 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	121

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d1bc5a1
Class class	a — All alpha proteins
Fold Fold fold	a.58 — Chemotaxis receptor methyltransferase CheR, N-terminal domain
Superfamily Superfamily superfamily	a.58.1 — Chemotaxis receptor methyltransferase CheR, N-terminal domain
Family Family family	a.58.1.1 — Chemotaxis receptor methyltransferase CheR, N-terminal domain

Domain ID domain_id	d1bc5a2
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.66 — S-adenosyl-L-methionine-dependent methyltransferases
Superfamily Superfamily superfamily	c.66.1 — S-adenosyl-L-methionine-dependent methyltransferases
Family Family family	c.66.1.8 — Chemotaxis receptor methyltransferase CheR, C-terminal domain

CATH v4.4 (2 domains)

Domain ID domain_id	1bc5A01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	155 — Chemotaxis Receptor Methyltransferase Cher; domain 1
Homologous superfamily homologous superfamily	10 — Chemotaxis receptor methyltransferase CheR, N-terminal domain

Domain ID domain_id	1bc5A02
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	150 — Vaccinia Virus protein VP39

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8. Citations (1)

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Unit-cell length a length_a	65.910 Å
Unit-cell length b length_b	70.580 Å
Unit-cell length c length_c	72.790 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	4

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	8.000 Å
R factor r_factor	0.2040
R_work r_work	0.2040
R_free r_free	0.2880

fit	/app/data/saxs_computation/bc/1bc5/1bc5.fit
pddf	/app/data/pr_computation/bc/1bc5/1bc5.pr.out
profile	/app/data/saxs_computation/bc/1bc5/1bc5.dat

CHEMOTAXIS RECEPTOR RECOGNITION BY PROTEIN METHYLTRANSFERASE CHER

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

CHEMOTAXIS RECEPTOR METHYLTRANSFERASE

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 (5)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 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)