SAXSdb — 4r9u

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

Vitamin B12 import system permease protein BtuC

Escherichia coli

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 4	Vitamin B12 import ATP-binding protein BtuD × 2 （P06611） LAURYL DIMETHYLAMINE-N-OXIDE × 4 PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MAGNESIUM ION × 2	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	BTUC_ECOLI
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 8–333； UniProt 1–326 Author chain B； PDBConstruct 8–333； UniProt 1–326

Vitamin B12 import ATP-binding protein BtuD

Escherichia coli

UniProt P06611

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 4	Vitamin B12 import system permease protein BtuC × 2 （P06609） LAURYL DIMETHYLAMINE-N-OXIDE × 4 PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MAGNESIUM ION × 2	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	BTUD_ECOLI
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain C； PDBConstruct 1–249； UniProt 1–249 Author chain D； PDBConstruct 1–249； UniProt 1–249

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	4r9u
Deposition date deposition_date	2014-09-08
Structure title title	Structure of vitamin B12 transporter BtuCD in a nucleotide-bound outward facing state
Keywords keywords	nucleotide, AMPPNP, ATP binding cassette, membrane protein, ABC transporter, BtuF, inner membrane, HYDROLASE; HYDROLASE
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.

4r9u__assembly_1__model_1

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

Download this curve (.dat)

4r9u__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

4r9u__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	33.75 Å
Rg (electron density)	33.25 Å
Total Rg	33.76 Å
Atom count	8792
Residues	1144
Excluded volume	159490 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`4r9u__assembly_1__model_1`	tetrameric （4）	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 (5)

Entity 1 Entity 1 polymer

Description description	Vitamin B12 import system permease protein BtuC
Molecular weight formula_weight	35484.3 kDa
EC 编号 ec_number	3.6.3.33
Mutation mutation	C18S, C32S, C120S, C156S, C205S, C206S, C267S
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	8792

GPSGTSHMLTLARQQQRQNIRWLLSLSVLMLLALLLSLSAGEQWISPGDWFTPRGELFVWQIRLPRTLAVLLVGAALAISGAVMQALFENPLAEPGLLGVSNGAGVGLIAAVLLGQGQLPNWALGLSAIAGALIITLILLRFARRHLSTSRLLLAGVALGIISSALMTWAIYFSTSVDLRQLMYWMMGGFGGVDWRQSWLMLALIPVLLWISSQSRPMNMLALGEISARQLGLPLWFWRNVLVAATGWMVGVSVALAGAIGFIGLVIPHILRLSGLTDHRVLLPGCALAGASALLLADIVARLALAAAELPIGVVTATLGAPVFIWLLLKAGR

Source Source

Source organism organism	Escherichia coli
NCBI taxonomy ID ncbi_taxonomy_id	83333
Host organism host_organism	Escherichia coli

Entity 2 Entity 2 polymer

Description description	Vitamin B12 import ATP-binding protein BtuD
Molecular weight formula_weight	27086.2 kDa
EC 编号 ec_number	3.6.3.33
Mutation mutation	C180S, E159Q, N162C
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	C,D

MSIVMQLQDVAESTRLGPLSGEVRAGEILHLVGPNGAGKSTLLARMAGMTSGKGSIQFAGQPLEAWSATKLALHRAYLSQQQTPPFATPVWHYLTLHQHDKTRTELLNDVAGALALDDKLGRSTNQLSGGEWQRVRLAAVVLQITPQANPAGQLLLLDQPMCSLDVAQQSALDKILSALSQQGLAIVMSSHDLNHTLRHAHRAWLLKGGKMLASGRREEVLTPPNLAQAYGMNFRRLDIEGHRMLISTI

Source Source

Source organism organism	Escherichia coli
NCBI taxonomy ID ncbi_taxonomy_id	83333
Host organism host_organism	Escherichia coli

Entity 3 Entity 3 non-polymer

Description description	LAURYL DIMETHYLAMINE-N-OXIDE
Molecular weight formula_weight	229.4 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 4 Entity 4 non-polymer

Description description	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Molecular weight formula_weight	506.2 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 5 Entity 5 non-polymer

Description description	MAGNESIUM ION
Molecular weight formula_weight	24.3 kDa
Source method src_method	syn
Copy count entity_count	2

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6. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

Domain ID domain_id	d4r9ua_
Class class	f — Membrane and cell surface proteins and peptides
Fold Fold fold	f.22 — ABC transporter involved in vitamin B12 uptake, BtuC
Superfamily Superfamily superfamily	f.22.1 — ABC transporter involved in vitamin B12 uptake, BtuC
Family Family family	f.22.1.1 — ABC transporter involved in vitamin B12 uptake, BtuC

Domain ID domain_id	d4r9ub_
Class class	f — Membrane and cell surface proteins and peptides
Fold Fold fold	f.22 — ABC transporter involved in vitamin B12 uptake, BtuC
Superfamily Superfamily superfamily	f.22.1 — ABC transporter involved in vitamin B12 uptake, BtuC
Family Family family	f.22.1.1 — ABC transporter involved in vitamin B12 uptake, BtuC

Domain ID domain_id	d4r9uc_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.37 — P-loop containing nucleoside triphosphate hydrolases
Superfamily Superfamily superfamily	c.37.1 — P-loop containing nucleoside triphosphate hydrolases
Family Family family	c.37.1.12 — ABC transporter ATPase domain-like

Domain ID domain_id	d4r9ud_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.37 — P-loop containing nucleoside triphosphate hydrolases
Superfamily Superfamily superfamily	c.37.1 — P-loop containing nucleoside triphosphate hydrolases
Family Family family	c.37.1.12 — ABC transporter ATPase domain-like

CATH v4.4 (4 domains)

Domain ID domain_id	4r9uA00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	3470 — ABC transporter involved in vitamin B12 uptake, BtuC
Homologous superfamily homologous superfamily	10 — ABC transporter involved in vitamin B12 uptake, BtuC

Domain ID domain_id	4r9uB00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	3470 — ABC transporter involved in vitamin B12 uptake, BtuC
Homologous superfamily homologous superfamily	10 — ABC transporter involved in vitamin B12 uptake, BtuC

Domain ID domain_id	4r9uC00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	300 — P-loop containing nucleotide triphosphate hydrolases

Domain ID domain_id	4r9uD00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	300 — P-loop containing nucleotide triphosphate hydrolases

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Unit-cell length a length_a	372.850 Å
Unit-cell length b length_b	113.210 Å
Unit-cell length c length_c	69.430 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	94.92 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	8

Space group space_group	C 1 2 1
Space-group number int_tables_number	5
Crystal system crystal_system	—

Resolution resolution	2.785 Å
Low-resolution limit resolution_low	29.514 Å
R factor r_factor	0.2181
R_work r_work	0.2169
R_free r_free	0.2465

Structure of vitamin B12 transporter BtuCD in a nucleotide-bound outward facing state

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

Vitamin B12 import system permease protein BtuC

State in the Current Structure

Other States of the Same Protein in the Database

Vitamin B12 import ATP-binding protein BtuD

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

4r9u__assembly_1__model_1

4r9u__assembly_1__model_1 | I(q)

4r9u__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 (5)

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

6. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

CATH v4.4 (4 domains)

7. Citations (1)

Structure of vitamin B12 transporter BtuCD in a nucleotide-bound outward facing state

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

Vitamin B12 import system permease protein BtuC

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Vitamin B12 import ATP-binding protein BtuD

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

4r9u__assembly_1__model_1

4r9u__assembly_1__model_1 | I(q)

4r9u__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 (5)

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

6. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

CATH v4.4 (4 domains)

7. Citations (1)