SAXSdb — 4hh3

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

Transcriptional regulator, PpsR

Rhodobacter sphaeroides

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 3	AppA protein × 1 （Q53119） water × 3	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	Q3J179_RHOS4
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 7–262； UniProt 2–257 Author chain B； PDBConstruct 7–262； UniProt 2–257

AppA protein

Rhodobacter sphaeroides

UniProt Q53119

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 3	Transcriptional regulator, PpsR × 2 （Q3J179） water × 3	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	Q53119_RHOSH
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain C； PDBConstruct 1–232； UniProt 168–399

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	4hh3
Deposition date deposition_date	2012-10-09
Structure title title	Structure of the AppA-PpsR2 core complex from Rb. sphaeroides
Keywords keywords	helix bundle, SCHIC domain, PAS domain, AppA-PpsR complex, FLAVOPROTEIN-TRANSCRIPTION complex; FLAVOPROTEIN/TRANSCRIPTION
Experimental Method method	X-RAY DIFFRACTION

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3. Official assembly/model SAXS Official SAXS Profiles

This page reads only the latest assembly calculations. Every curve maps to an explicit PDB entry, official biological assembly and coordinate model.

4hh3__assembly_1__model_1

Assembly 1 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

4hh3__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

4hh3__assembly_1__model_1 | P(r) · Pending

P(r) will be calculated and displayed separately for the same assembly/model.

Rg（Guinier）	33.96 Å
Rg (electron density)	33.75 Å
Total Rg	34.11 Å
Atom count	5447
Residues	711
Excluded volume	97151 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`4hh3__assembly_1__model_1`	trimeric （3）	Success	4.1.3-1-20251215 (887e7ef)	View Download

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4. Crystallography and Experiment 4. Crystallography & Experiment

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5. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Description description	Transcriptional regulator, PpsR
Molecular weight formula_weight	28835.1 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	6221

GAMGMGLAGGSLPSLAPDLVRDLIATAADISLLVSQEGVVREVMANPHHPSFGQLSEWEGRPLEEVLTAESVAKFRLRSEGLEPGRGSVAVELNHIDPRSFEFPIRYILHRLPADRSILMLGRDLRPIAEVQQQLVAAQLAMERDYETQREMETRYRVVLDVSRDPMVLVSMSTGRIVDLNSAAGLLLGGVRQDLLGAAIAQEFEGRRRGEFMETMTNLAATESAAPVEVLARRSQKRLLVVPRVFRAAGERLLLCQIDPAD

Source Source

Source organism organism	Rhodobacter sphaeroides
Common name common_name	Rhodopseudomonas sphaeroides
NCBI taxonomy ID ncbi_taxonomy_id	272943
Host organism host_organism	Escherichia coli

Entity 2 Entity 2 polymer

Description description	AppA protein
Molecular weight formula_weight	25480.3 kDa
Mutation mutation	C399S
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	C

VEADTFALYALTEAQAGRSGRAKAVARLSDLLSTDPLGRLTEVEELLRAHAPTAADFARLFEACAERLTRALAEDRISRMQVTLAYSALQMALRRIHHLPDPQKSVGAVLVAGVPGHKPILEAALAAEMLRAVGWSTSVVHPESVAALAARLKTSRTSTLVVAPSLLEGTEQEADTLRFVSALRARTDLPGLSILVGGRLAQLPPSKLKDSGADAGFAHLALLPAALARVASSAHHHHHH

Source Source

Source organism organism	Rhodobacter sphaeroides
Common name common_name	Rhodopseudomonas sphaeroides
NCBI taxonomy ID ncbi_taxonomy_id	1063
Host organism host_organism	Escherichia coli

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	683

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6. Fold Classification (SCOP + CATH) 6 domains

CATH v4.4 (6 domains)

Domain ID domain_id	4hh3A01
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	450 — Beta-Lactamase
Homologous superfamily homologous superfamily	20 — PAS domain

Domain ID domain_id	4hh3A02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	450 — Beta-Lactamase
Homologous superfamily homologous superfamily	20 — PAS domain

Domain ID domain_id	4hh3B01
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	450 — Beta-Lactamase
Homologous superfamily homologous superfamily	20 — PAS domain

Domain ID domain_id	4hh3B02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	450 — Beta-Lactamase
Homologous superfamily homologous superfamily	20 — PAS domain

Domain ID domain_id	4hh3C01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	1240 — Methyltransferase, Methionine Synthase (B12-binding Domains); Chain A, domain 1
Homologous superfamily homologous superfamily	10 — Methionine synthase domain

Domain ID domain_id	4hh3C02
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	280 — Cobalamin-binding domain

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Unit-cell length a length_a	89.780 Å
Unit-cell length b length_b	188.300 Å
Unit-cell length c length_c	51.860 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	8

Space group space_group	P 21 21 2
Space-group number int_tables_number	18
Crystal system crystal_system	—

Resolution resolution	1.750 Å
Low-resolution limit resolution_low	44.907 Å
R factor r_factor	0.1713
R_work r_work	0.1699
R_free r_free	0.1980

Structure of the AppA-PpsR2 core complex from Rb. sphaeroides

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

Transcriptional regulator, PpsR

State in the Current Structure

Other States of the Same Protein in the Database

AppA protein

State in the Current Structure

Other States of the Same Protein in the Database

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

4hh3__assembly_1__model_1

4hh3__assembly_1__model_1 | I(q)

4hh3__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

5. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 polymer

Polymer Polymer

Source Source

Entity 3 Entity 3 water

6. Fold Classification (SCOP + CATH) 6 domains

CATH v4.4 (6 domains)

7. Citations (1)

Structure of the AppA-PpsR2 core complex from Rb. sphaeroides

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

Transcriptional regulator, PpsR

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

AppA protein

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

4hh3__assembly_1__model_1

4hh3__assembly_1__model_1 | I(q)

4hh3__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

5. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 polymer

Polymer Polymer

Source Source

Entity 3 Entity 3 water

6. Fold Classification (SCOP + CATH) 6 domains

CATH v4.4 (6 domains)

7. Citations (1)