4b4k

Crystal structure of Bacillus anthracis PurE

Method: X-RAY DIFFRACTION

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

N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE MUTASE

BACILLUS ANTHRACIS

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein homooligomer	Homooligomer	Protein 8	water × 8	Consistent with protein count
2	Protein homooligomer	Homooligomer	Protein 8	water × 8	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	Q81ZH8_BACAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 21–181； UniProt 1–161 Author chain B； PDBConstruct 21–181； UniProt 1–161 Author chain C； PDBConstruct 21–181； UniProt 1–161 Author chain D； PDBConstruct 21–181； UniProt 1–161 Author chain E； PDBConstruct 21–181； UniProt 1–161 Author chain F； PDBConstruct 21–181； UniProt 1–161 Author chain G； PDBConstruct 21–181； UniProt 1–161 Author chain H； PDBConstruct 21–181； UniProt 1–161 Author chain I； PDBConstruct 21–181； UniProt 1–161 Author chain J； PDBConstruct 21–181； UniProt 1–161 Author chain K； PDBConstruct 21–181； UniProt 1–161 Author chain L； PDBConstruct 21–181； UniProt 1–161

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	4b4k
Deposition date deposition_date	2012-07-31
Structure title title	Crystal structure of Bacillus anthracis PurE
Keywords keywords	ISOMERASE; ISOMERASE
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.

4b4k__assembly_1__model_1

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

Download this curve (.dat)

4b4k__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

4b4k__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	32.12 Å
Rg (electron density)	31.05 Å
Total Rg	31.65 Å
Atom count	9302
Residues	1256
Excluded volume	166820 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`4b4k__assembly_1__model_1`	octameric （8）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`4b4k__assembly_2__model_1`	octameric （8）	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 (2)

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6. Fold Classification (SCOP + CATH) 24 domains

SCOP 2.08 (12 domains)

Domain ID domain_id	d4b4ka_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.23 — Flavodoxin-like
Superfamily Superfamily superfamily	c.23.8 — N5-CAIR mutase (phosphoribosylaminoimidazole carboxylase, PurE)
Family Family family	c.23.8.0 — automated matches

Domain ID domain_id	d4b4kb_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.23 — Flavodoxin-like
Superfamily Superfamily superfamily	c.23.8 — N5-CAIR mutase (phosphoribosylaminoimidazole carboxylase, PurE)
Family Family family	c.23.8.0 — automated matches

Domain ID domain_id	d4b4kc_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.23 — Flavodoxin-like
Superfamily Superfamily superfamily	c.23.8 — N5-CAIR mutase (phosphoribosylaminoimidazole carboxylase, PurE)
Family Family family	c.23.8.0 — automated matches

Domain ID domain_id	d4b4kd_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.23 — Flavodoxin-like
Superfamily Superfamily superfamily	c.23.8 — N5-CAIR mutase (phosphoribosylaminoimidazole carboxylase, PurE)
Family Family family	c.23.8.0 — automated matches

Domain ID domain_id	d4b4ke_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.23 — Flavodoxin-like
Superfamily Superfamily superfamily	c.23.8 — N5-CAIR mutase (phosphoribosylaminoimidazole carboxylase, PurE)
Family Family family	c.23.8.0 — automated matches

Domain ID domain_id	d4b4kf_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.23 — Flavodoxin-like
Superfamily Superfamily superfamily	c.23.8 — N5-CAIR mutase (phosphoribosylaminoimidazole carboxylase, PurE)
Family Family family	c.23.8.0 — automated matches

Domain ID domain_id	d4b4kg_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.23 — Flavodoxin-like
Superfamily Superfamily superfamily	c.23.8 — N5-CAIR mutase (phosphoribosylaminoimidazole carboxylase, PurE)
Family Family family	c.23.8.0 — automated matches

Domain ID domain_id	d4b4kh_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.23 — Flavodoxin-like
Superfamily Superfamily superfamily	c.23.8 — N5-CAIR mutase (phosphoribosylaminoimidazole carboxylase, PurE)
Family Family family	c.23.8.0 — automated matches

Domain ID domain_id	d4b4ki_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.23 — Flavodoxin-like
Superfamily Superfamily superfamily	c.23.8 — N5-CAIR mutase (phosphoribosylaminoimidazole carboxylase, PurE)
Family Family family	c.23.8.0 — automated matches

Domain ID domain_id	d4b4kj_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.23 — Flavodoxin-like
Superfamily Superfamily superfamily	c.23.8 — N5-CAIR mutase (phosphoribosylaminoimidazole carboxylase, PurE)
Family Family family	c.23.8.0 — automated matches

Domain ID domain_id	d4b4kk_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.23 — Flavodoxin-like
Superfamily Superfamily superfamily	c.23.8 — N5-CAIR mutase (phosphoribosylaminoimidazole carboxylase, PurE)
Family Family family	c.23.8.0 — automated matches

Domain ID domain_id	d4b4kl_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.23 — Flavodoxin-like
Superfamily Superfamily superfamily	c.23.8 — N5-CAIR mutase (phosphoribosylaminoimidazole carboxylase, PurE)
Family Family family	c.23.8.0 — automated matches

CATH v4.4 (12 domains)

Domain ID domain_id	4b4kA00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	1970 —

Domain ID domain_id	4b4kB00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	1970 —

Domain ID domain_id	4b4kC00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	1970 —

Domain ID domain_id	4b4kD00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	1970 —

Domain ID domain_id	4b4kE00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	1970 —

Domain ID domain_id	4b4kF00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	1970 —

Domain ID domain_id	4b4kG00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	1970 —

Domain ID domain_id	4b4kH00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	1970 —

Domain ID domain_id	4b4kI00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	1970 —

Domain ID domain_id	4b4kJ00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	1970 —

Domain ID domain_id	4b4kK00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	1970 —

Domain ID domain_id	4b4kL00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	1970 —

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Unit-cell length a length_a	87.563 Å
Unit-cell length b length_b	151.904 Å
Unit-cell length c length_c	134.849 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	98.33 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	48

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

Resolution resolution	2.500 Å
Low-resolution limit resolution_low	47.110 Å
R factor r_factor	0.1821
R_work r_work	0.1801
R_free r_free	0.2171

Description description	N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE MUTASE
Molecular weight formula_weight	19232.0 kDa
EC 编号 ec_number	5.4.99.18, 4.1.1.21
Source method src_method	man
Copy count entity_count	12

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C,D,E,F,G,H,I,J,K,L
Atom count atom_count	14428

Crystal structure of Bacillus anthracis PurE

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

N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE MUTASE

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

4b4k__assembly_1__model_1

4b4k__assembly_1__model_1 | I(q)

4b4k__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 (2)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 water

6. Fold Classification (SCOP + CATH) 24 domains

SCOP 2.08 (12 domains)

CATH v4.4 (12 domains)

7. Citations (1)

Source organism organism	BACILLUS ANTHRACIS
NCBI taxonomy ID ncbi_taxonomy_id	1392
Host organism host_organism	ESCHERICHIA COLI

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	483

Crystal structure of Bacillus anthracis PurE

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

N5-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE MUTASE

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

4b4k__assembly_1__model_1

4b4k__assembly_1__model_1 | I(q)

4b4k__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 (2)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 water

6. Fold Classification (SCOP + CATH) 24 domains

SCOP 2.08 (12 domains)

CATH v4.4 (12 domains)

7. Citations (1)