SAXSdb — 1ng5

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

sortase B

Staphylococcus aureus subsp. aureus

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein monomer	Monomer	Protein 1	water × 1	Consistent with protein count
2	Protein monomer	Monomer	Protein 1	water × 1	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	Q7A650_STAAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 2–215； UniProt 31–244 Author chain B； PDBConstruct 2–215； UniProt 31–244

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	1ng5
Deposition date deposition_date	2002-12-16
Structure title title	2.0 A crystal structure of Staphylococcus aureus Sortase B
Keywords keywords	;structural genomics, a new fold, PSI, Protein Structure Initiative, Midwest Center for Structural Genomics, MCSG, HYDROLASE, TRANSFERASE ;; HYDROLASE, TRANSFERASE
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.

1ng5__assembly_1__model_1

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

Download this curve (.dat)

1ng5__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

1ng5__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	18.05 Å
Rg (electron density)	16.68 Å
Total Rg	17.77 Å
Atom count	1770
Residues	211
Excluded volume	31390 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`1ng5__assembly_1__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`1ng5__assembly_2__model_1`	monomeric （1）	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) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d1ng5a_
Class class	b — All beta proteins
Fold Fold fold	b.100 — Sortase
Superfamily Superfamily superfamily	b.100.1 — Sortase
Family Family family	b.100.1.1 — Sortase

Domain ID domain_id	d1ng5b_
Class class	b — All beta proteins
Fold Fold fold	b.100 — Sortase
Superfamily Superfamily superfamily	b.100.1 — Sortase
Family Family family	b.100.1.1 — Sortase

CATH v4.4 (2 domains)

Domain ID domain_id	1ng5A00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	260 — Sortase; Chain: A;
Homologous superfamily homologous superfamily	10 — Sortase

Domain ID domain_id	1ng5B00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	260 — Sortase; Chain: A;
Homologous superfamily homologous superfamily	10 — Sortase

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Unit-cell length a length_a	71.158 Å
Unit-cell length b length_b	104.383 Å
Unit-cell length c length_c	58.158 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	2.000 Å
Low-resolution limit resolution_low	42.090 Å
R factor r_factor	0.2370
R_work r_work	0.2370
R_free r_free	0.2480

Description description	sortase B
Molecular weight formula_weight	25641.0 kDa
Source method src_method	man
Copy count entity_count	2

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	3799

2.0 A crystal structure of Staphylococcus aureus Sortase B

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

sortase B

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

1ng5__assembly_1__model_1

1ng5__assembly_1__model_1 | I(q)

1ng5__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) 4 domains

SCOP 2.08 (2 domains)

CATH v4.4 (2 domains)

7. Citations (1)

Source organism organism	Staphylococcus aureus subsp. aureus
NCBI taxonomy ID ncbi_taxonomy_id	158879
Host organism host_organism	Escherichia coli BL21(DE3)

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	307

2.0 A crystal structure of Staphylococcus aureus Sortase B

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

sortase B

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

1ng5__assembly_1__model_1

1ng5__assembly_1__model_1 | I(q)

1ng5__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) 4 domains

SCOP 2.08 (2 domains)

CATH v4.4 (2 domains)

7. Citations (1)