4txo

Crystal structure of the mixed disulfide complex of thioredoxin-like TlpAs(C110S) and copper chaperone ScoIs(C74S)

Method: X-RAY DIFFRACTION

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

Thiol:disulfide interchange protein TlpA

Bradyrhizobium diazoefficiens USDA 110

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 2	Blr1131 protein × 1 （Q89VB6） THIOCYANATE ION × 1 DI(HYDROXYETHYL)ETHER × 1 water × 2	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 2	Blr1131 protein × 1 （Q89VB6） THIOCYANATE ION × 1 SODIUM ION × 2 water × 2	Consistent with protein count
3	Protein heterocomplex	Heteromer	Protein 2	Blr1131 protein × 1 （Q89VB6） water × 2	Consistent with protein count
4	Protein heterocomplex	Heteromer	Protein 2	Blr1131 protein × 1 （Q89VB6） water × 2	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	TLPA_BRADU
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–184； UniProt 38–221 Author chain C； PDBConstruct 1–184； UniProt 38–221 Author chain E； PDBConstruct 1–184； UniProt 38–221 Author chain G； PDBConstruct 1–184； UniProt 38–221

Blr1131 protein

Bradyrhizobium diazoefficiens USDA 110

UniProt Q89VB6

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 2	Thiol:disulfide interchange protein TlpA × 1 （P43221） THIOCYANATE ION × 1 DI(HYDROXYETHYL)ETHER × 1 water × 2	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 2	Thiol:disulfide interchange protein TlpA × 1 （P43221） THIOCYANATE ION × 1 SODIUM ION × 2 water × 2	Consistent with protein count
3	Protein heterocomplex	Heteromer	Protein 2	Thiol:disulfide interchange protein TlpA × 1 （P43221） water × 2	Consistent with protein count
4	Protein heterocomplex	Heteromer	Protein 2	Thiol:disulfide interchange protein TlpA × 1 （P43221） water × 2	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	Q89VB6_BRADU
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 9–175； UniProt 30–196 Author chain D； PDBConstruct 9–175； UniProt 30–196 Author chain F； PDBConstruct 9–175； UniProt 30–196 Author chain H； PDBConstruct 9–175； UniProt 30–196

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	4txo
Deposition date deposition_date	2014-07-04
Structure title title	Crystal structure of the mixed disulfide complex of thioredoxin-like TlpAs(C110S) and copper chaperone ScoIs(C74S)
Keywords keywords	;mixed disulfide, soluble domain of membrane protein, thioredoxin fold, copper protein, protein binding, OXIDODREDUCTASE/COPPER BINDING PROTEIN, OXIDODREDUCTASE-COPPER BINDING PROTEIN complex ;; OXIDODREDUCTASE/COPPER BINDING PROTEIN
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.

4txo__assembly_4__model_1

Assembly 4 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

4txo__assembly_4__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

4txo__assembly_4__model_1 | P(r) · Pending

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

Rg（Guinier）	22.14 Å
Rg (electron density)	21.18 Å
Total Rg	22.08 Å
Atom count	2508
Residues	328
Excluded volume	44995 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`4txo__assembly_1__model_1`	Dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`4txo__assembly_2__model_1`	Dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
3	1	`4txo__assembly_3__model_1`	Dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
4	1	`4txo__assembly_4__model_1`	Dimeric （2）	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 (6)

Entity 1 Entity 1 polymer

Description description	Thiol:disulfide interchange protein TlpA
Molecular weight formula_weight	19528.6 kDa
Mutation mutation	C110S
Source method src_method	man
Copy count entity_count	4

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	C,A,E,G
Atom count atom_count	10798

APTGDPACRAAVATAQKIAPLAHGEVAALTMASAPLKLPDLAFEDADGKPKKLSDFRGKTLLVNLWATWCVPSRKEMPALDELQGKLSGPNFEVVAINIDTRDPEKPKTFLKEANLTRLGYFNDQKAKVFQDLKAIGRALGMPTSVLVDPQGCEIATIAGPAEWASEDALKLIRAATGKAAAAL

Source Source

Source organism organism	Bradyrhizobium diazoefficiens USDA 110
NCBI taxonomy ID ncbi_taxonomy_id	224911
Host organism host_organism	Escherichia coli BL21

Entity 2 Entity 2 polymer

Description description	Blr1131 protein
Molecular weight formula_weight	19325.9 kDa
Mutation mutation	C74S, WSHPQFEK: StrepII purification tag
Source method src_method	man
Copy count entity_count	4

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	D,B,F,H

WSHPQFEKGGVGKVAQPAAIGGPFQLTDQNGKAVTDKSLKGKPTLIFFGYTHSPDVCPTSLFEISEVLRAMGKDADKVNAIFISVDPERDTPATMKNYLSSFDPHLEGLSGDPAEIAKVITSYRVYAKKVPTKDGDYTMDHTALIYLMDRDGRFVSPFNLKRTPEEAAADLKRYL

Source Source

Source organism organism	Bradyrhizobium diazoefficiens USDA 110
NCBI taxonomy ID ncbi_taxonomy_id	224911
Host organism host_organism	Escherichia coli BL21(DE3)

Entity 3 Entity 3 non-polymer

Description description	THIOCYANATE ION
Molecular weight formula_weight	58.1 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 4 Entity 4 non-polymer

Description description	DI(HYDROXYETHYL)ETHER
Molecular weight formula_weight	106.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 5 Entity 5 non-polymer

Description description	SODIUM ION
Molecular weight formula_weight	23.0 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 6 Entity 6 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	590

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6. Fold Classification (SCOP + CATH) 16 domains

SCOP 2.08 (8 domains)

Domain ID domain_id	d4txoa_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.47 — Thioredoxin fold
Superfamily Superfamily superfamily	c.47.1 — Thioredoxin-like
Family Family family	c.47.1.10 — Glutathione peroxidase-like

Domain ID domain_id	d4txob_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.47 — Thioredoxin fold
Superfamily Superfamily superfamily	c.47.1 — Thioredoxin-like
Family Family family	c.47.1.0 — automated matches

Domain ID domain_id	d4txoc_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.47 — Thioredoxin fold
Superfamily Superfamily superfamily	c.47.1 — Thioredoxin-like
Family Family family	c.47.1.10 — Glutathione peroxidase-like

Domain ID domain_id	d4txod_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.47 — Thioredoxin fold
Superfamily Superfamily superfamily	c.47.1 — Thioredoxin-like
Family Family family	c.47.1.0 — automated matches

Domain ID domain_id	d4txoe_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.47 — Thioredoxin fold
Superfamily Superfamily superfamily	c.47.1 — Thioredoxin-like
Family Family family	c.47.1.10 — Glutathione peroxidase-like

Domain ID domain_id	d4txof_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.47 — Thioredoxin fold
Superfamily Superfamily superfamily	c.47.1 — Thioredoxin-like
Family Family family	c.47.1.0 — automated matches

Domain ID domain_id	d4txog_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.47 — Thioredoxin fold
Superfamily Superfamily superfamily	c.47.1 — Thioredoxin-like
Family Family family	c.47.1.10 — Glutathione peroxidase-like

Domain ID domain_id	d4txoh_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.47 — Thioredoxin fold
Superfamily Superfamily superfamily	c.47.1 — Thioredoxin-like
Family Family family	c.47.1.0 — automated matches

CATH v4.4 (8 domains)

Domain ID domain_id	4txoA00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	30 — Glutaredoxin
Homologous superfamily homologous superfamily	10 — Glutaredoxin

Domain ID domain_id	4txoB00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	30 — Glutaredoxin
Homologous superfamily homologous superfamily	10 — Glutaredoxin

Domain ID domain_id	4txoC00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	30 — Glutaredoxin
Homologous superfamily homologous superfamily	10 — Glutaredoxin

Domain ID domain_id	4txoD00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	30 — Glutaredoxin
Homologous superfamily homologous superfamily	10 — Glutaredoxin

Domain ID domain_id	4txoE00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	30 — Glutaredoxin
Homologous superfamily homologous superfamily	10 — Glutaredoxin

Domain ID domain_id	4txoF00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	30 — Glutaredoxin
Homologous superfamily homologous superfamily	10 — Glutaredoxin

Domain ID domain_id	4txoG00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	30 — Glutaredoxin
Homologous superfamily homologous superfamily	10 — Glutaredoxin

Domain ID domain_id	4txoH00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	30 — Glutaredoxin
Homologous superfamily homologous superfamily	10 — Glutaredoxin

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Unit-cell length a length_a	60.030 Å
Unit-cell length b length_b	173.220 Å
Unit-cell length c length_c	66.690 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	89.97 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	8

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

Resolution resolution	2.200 Å
Low-resolution limit resolution_low	49.338 Å
R factor r_factor	0.1749
R_work r_work	0.1742
R_free r_free	0.2068

Crystal structure of the mixed disulfide complex of thioredoxin-like TlpAs(C110S) and copper chaperone ScoIs(C74S)

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

Thiol:disulfide interchange protein TlpA

State in the Current Structure

Other States of the Same Protein in the Database

Blr1131 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

4txo__assembly_4__model_1

4txo__assembly_4__model_1 | I(q)

4txo__assembly_4__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 (6)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 polymer

Polymer Polymer

Source Source

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 water

6. Fold Classification (SCOP + CATH) 16 domains

SCOP 2.08 (8 domains)

CATH v4.4 (8 domains)

7. Citations (1)

Crystal structure of the mixed disulfide complex of thioredoxin-like TlpAs(C110S) and copper chaperone ScoIs(C74S)

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

Thiol:disulfide interchange protein TlpA

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Blr1131 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

4txo__assembly_4__model_1

4txo__assembly_4__model_1 | I(q)

4txo__assembly_4__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 (6)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 polymer

Polymer Polymer

Source Source

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 water

6. Fold Classification (SCOP + CATH) 16 domains

SCOP 2.08 (8 domains)

CATH v4.4 (8 domains)

7. Citations (1)