SAXSdb — 1a0b

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

AEROBIC RESPIRATION CONTROL SENSOR PROTEIN ARCB

Escherichia coli

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 monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain A； UniProt 652–776	Fragment：C-TERMINAL HPT DOMAIN	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：pH 4.1；PROTEIN WAS CRYSTALLIZED FROM 12.5% PEGMME 550, 5 MM ZNSO4, 50 MM ACETIC ACID/SODIUM ACETATE BUFFER, PH 4.1	Resolution 2.06 Å R-free 0.271

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 1A0B	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1BDJ COMPLEX STRUCTURE OF HPT DOMAIN AND CHEY Deposited 1998-05-10	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 652–776（125 aa） Fragment：HPT DOMAIN, THE HISTIDINE-CONTAINING PHOSPHOTRANSFER DOMAIN	Not recorded	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7.0	Resolution 2.68 Å R-free 0.250
1FR0 SOLUTION STRUCTURE OF THE HISTIDINE-CONTAINING PHOSPHOTRANSFER DOMAIN OF ANAEROBIC SENSOR KINASE ARCB FROM ESCHERICHIA COLI. Deposited 2000-09-07	Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 654–778（125 aa） Fragment：THE HISTIDINE-CONTAINING PHOSPHOTRANSFER (HPT) DOMAIN	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6.5；310 K；Ionic strength (raw mmCIF value) 100mM；Pressure ambient NMR sample composition 1.5mM HPtArcB, 50mM KH2PO4-K2HPO4 (pH6.5 at 37deg), 50mM KCl, and 1mM dithiothreitol (DTT) in 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 1.5mM HPtArcB, 50mM KH2PO4-K2HPO4 (pH6.5 at 37deg), 50mM KCl, and 1mM dithiothreitol (DTT) in 99.8% D2O \| 99.8% D2O	Resolution not provided
2A0B HISTIDINE-CONTAINING PHOSPHOTRANSFER DOMAIN OF ARCB FROM ESCHERICHIA COLI Deposited 1998-04-02	Different construct Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 652–776（125 aa）	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.1；PROTEIN WAS CRYSTALLIZED FROM 12.5% PEGMME 550, 5 MM ZNSO4, 50 MM ACETIC ACID/SODIUM ACETATE BUFFER, PH 4.1	Resolution 1.57 Å R-free 0.245

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

View Construct and Data Evidence

UniProt name	ARCB_ECOLI
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–125； UniProt 652–776

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	1a0b
Deposition date deposition_date	1997-11-27
Structure title title	HISTIDINE-CONTAINING PHOSPHOTRANSFER DOMAIN OF ARCB FROM ESCHERICHIA COLI
Keywords keywords	HISTIDINE KINASE, PHOSPHOTRANSFER, TWO-COMPONENT SYSTEM, FOUR-HELIX BUNDLE; HISTIDINE KINASE
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	15.64 Å
Radius of gyration Rg (electron density) rg_electron	14.77 Å
Forward intensity I(0) i0	3317300.00
Molecular weight molecular_weight	13119.0 kDa
Excluded volume excluded_volume	16513 Å³
Envelope volume envelope_volume	18631 Å³
Hydration-shell volume shell_volume	11214 Å³
Envelope diameter envelope_diameter	54.1 Å
Shell Rg shell_rg	19.89 Å
Envelope Rg envelope_rg	15.21 Å
Shape Rg shape_rg	14.78 Å
Total Rg total_rg	15.79 Å
Total atoms total_atoms	920
Residues n_residues	117
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	55.9 Å
Rg (real space) rg_real	15.67 Å
Rg uncertainty (real space) rg_real_error	0.32 Å
I(0) (real space) i0_real	3.3170e+06
I(0) uncertainty (real space) i0_real_error	3.7510e+04
Rg (reciprocal space) rg_reciprocal	15.66 Å
I(0) (reciprocal space) i0_reciprocal	3317000.0000
Solution quality estimate total_estimate	0.6471
Solution quality rating solution_quality	REASONABLE a REASONABLE solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	17.0 Å
Skewness Skewness skewness	0.455
Kurtosis Kurtosis kurtosis	-0.079
Angular range angular_range	— – 0.5000 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	1116000.0000
Real-space data points n_real_points	80
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.577; Stabil: 1.000; Sysdev: 0.256; Positv: 1.000; Valcen: 0.912; Smooth: 0.996

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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	AEROBIC RESPIRATION CONTROL SENSOR PROTEIN ARCB
Molecular weight formula_weight	14013.9 kDa
EC 编号 ec_number	2.7.3.-
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	1041

TTEENSKSEALLDIPMLEQYLELVGPKLITDGLAVFEKMMPGYVSVLESNLTAQDKKGIVEEGHKIKGAAGSVGLRHLQQLGQQIQSPDLPAWEDNVGEWIEEMKEEWRHDVEVLKAWVAKATKK

来源 Source

来源生物 organism	Escherichia coli
NCBI Class编号 ncbi_taxonomy_id	562
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	1

Entity 3 Entity 3 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) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_id	d1a0ba_
Class class	a — All alpha proteins
Fold Fold fold	a.24 — Four-helical up-and-down bundle
Superfamily Superfamily superfamily	a.24.10 — Histidine-containing phosphotransfer domain, HPT domain
Family Family family	a.24.10.1 — Aerobic respiration control sensor protein, ArcB

CATH v4.4 (1 domains)

Domain ID domain_id	1a0bA00
Class class	1 — Mainly Alpha
Architecture architecture	20 — Up-down Bundle
Topology topology	120 — Four Helix Bundle (Hemerythrin (Met), subunit A)
Homologous superfamily homologous superfamily	160 — HPT domain

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8. Citations (2)

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Unit-cell length a length_a	30.560 Å
Unit-cell length b length_b	34.930 Å
Unit-cell length c length_c	110.780 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	2.060 Å
Low-resolution limit resolution_low	10.000 Å
R factor r_factor	0.1810
R_work r_work	0.1810
R_free r_free	0.2710

fit	/app/data/saxs_computation/a0/1a0b/1a0b.fit
pddf	/app/data/pr_computation/a0/1a0b/1a0b.pr.out
profile	/app/data/saxs_computation/a0/1a0b/1a0b.dat

HISTIDINE-CONTAINING PHOSPHOTRANSFER DOMAIN OF ARCB FROM ESCHERICHIA COLI

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

AEROBIC RESPIRATION CONTROL SENSOR PROTEIN ARCB

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