SAXSdb — 4xgp

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

;5'/3'-nucleotidase SurE ;

Salmonella typhimurium LT2

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein homooligomer	Homooligomer	Protein 2	MAGNESIUM ION × 2 PHOSPHATE ION × 1 ADENINE × 1 1,2-ETHANEDIOL × 1 water × 2	Consistent with protein count
2	Protein homooligomer	Homooligomer	Protein 2	MAGNESIUM ION × 2 1,2-ETHANEDIOL × 4 water × 2	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	SURE_SALTY
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 15–267； UniProt 1–253 Author chain B； PDBConstruct 15–267； UniProt 1–253 Author chain C； PDBConstruct 15–267； UniProt 1–253 Author chain D； PDBConstruct 15–267； UniProt 1–253

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	4xgp
Deposition date deposition_date	2015-01-01
Structure title title	Crystal Structure of E112A/H234A Mutant of Stationary Phase Survival Protein (SurE) from Salmonella typhimurium co-crystallized and soaked with AMP.
Keywords keywords	Stationary phase survival protein, Domain swapping, Rossmann fold like, Phosphatase, 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.

4xgp__assembly_2__model_1

Assembly 2 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

4xgp__assembly_2__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

4xgp__assembly_2__model_1 | P(r) · Pending

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

Rg（Guinier）	23.85 Å
Rg (electron density)	22.93 Å
Total Rg	23.68 Å
Atom count	3784
Residues	509
Excluded volume	66714 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`4xgp__assembly_1__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`4xgp__assembly_2__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	;5'/3'-nucleotidase SurE ;
Molecular weight formula_weight	28490.0 kDa
EC 编号 ec_number	3.1.3.5,3.1.3.6,3.6.1.11
Mutation mutation	E112A, H234A
Source method src_method	man
Copy count entity_count	4

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C,D
Atom count atom_count	8770

MRGSHHHHHHGMASMRILLSNDDGVHAPGIQTLAKALREFADVQVVAPDRNRSGASNSLTLESSLRTFTFDNGDIAVQMGTPTDCVYLGVNALMRPRPDIVVSGINAGPNLGDDVIYSGTVAAAMAGRHLGFPALAVSLNGYQHYDTAAAVTCALLRGLSREPLRTGRILNVNVPDLPLAQVKGIRVTRCGSRHPADKVIPQEDPRGNTLYWIGPPGDKYDAGPDTDFAAVDEGYVSVTPLHVDLTAASAHDVVSDWLDSVGVGTQW

Source Source

Source organism organism	Salmonella typhimurium LT2
NCBI taxonomy ID ncbi_taxonomy_id	99287
Host organism host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	MAGNESIUM ION
Molecular weight formula_weight	24.3 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 3 Entity 3 non-polymer

Description description	PHOSPHATE ION
Molecular weight formula_weight	95.0 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 non-polymer

Description description	ADENINE
Molecular weight formula_weight	135.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 5 Entity 5 non-polymer

Description description	1,2-ETHANEDIOL
Molecular weight formula_weight	62.1 kDa
Source method src_method	syn
Copy count entity_count	5

Entity 6 Entity 6 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	991

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6. Fold Classification (SCOP + CATH) 12 domains

SCOP 2.08 (8 domains)

Domain ID domain_id	d4xgpa1
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.106 — SurE-like
Superfamily Superfamily superfamily	c.106.1 — SurE-like
Family Family family	c.106.1.0 — automated matches

Domain ID domain_id	d4xgpa2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

Domain ID domain_id	d4xgpb1
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.106 — SurE-like
Superfamily Superfamily superfamily	c.106.1 — SurE-like
Family Family family	c.106.1.0 — automated matches

Domain ID domain_id	d4xgpb2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

Domain ID domain_id	d4xgpc1
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.106 — SurE-like
Superfamily Superfamily superfamily	c.106.1 — SurE-like
Family Family family	c.106.1.0 — automated matches

Domain ID domain_id	d4xgpc2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

Domain ID domain_id	d4xgpd1
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.106 — SurE-like
Superfamily Superfamily superfamily	c.106.1 — SurE-like
Family Family family	c.106.1.0 — automated matches

Domain ID domain_id	d4xgpd2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

CATH v4.4 (4 domains)

Domain ID domain_id	4xgpA00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	1210 — Stationary-phase Survival Protein Sure Homolog; Chain: A,
Homologous superfamily homologous superfamily	10 — Survival protein SurE-like phosphatase/nucleotidase

Domain ID domain_id	4xgpB00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	1210 — Stationary-phase Survival Protein Sure Homolog; Chain: A,
Homologous superfamily homologous superfamily	10 — Survival protein SurE-like phosphatase/nucleotidase

Domain ID domain_id	4xgpC00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	1210 — Stationary-phase Survival Protein Sure Homolog; Chain: A,
Homologous superfamily homologous superfamily	10 — Survival protein SurE-like phosphatase/nucleotidase

Domain ID domain_id	4xgpD00
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	1210 — Stationary-phase Survival Protein Sure Homolog; Chain: A,
Homologous superfamily homologous superfamily	10 — Survival protein SurE-like phosphatase/nucleotidase

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Unit-cell length a length_a	162.520 Å
Unit-cell length b length_b	96.230 Å
Unit-cell length c length_c	93.940 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	98.41 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	16

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

Resolution resolution	1.900 Å
Low-resolution limit resolution_low	32.870 Å
R factor r_factor	0.1916
R_work r_work	0.1890
R_free r_free	0.2398

Crystal Structure of E112A/H234A Mutant of Stationary Phase Survival Protein (SurE) from Salmonella typhimurium co-crystallized and soaked with AMP.

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

;5'/3'-nucleotidase SurE ;

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

4xgp__assembly_2__model_1

4xgp__assembly_2__model_1 | I(q)

4xgp__assembly_2__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 non-polymer

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) 12 domains

SCOP 2.08 (8 domains)

CATH v4.4 (4 domains)

7. Citations (1)

Crystal Structure of E112A/H234A Mutant of Stationary Phase Survival Protein (SurE) from Salmonella typhimurium co-crystallized and soaked with AMP.

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

;5'/3'-nucleotidase SurE ;

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

4xgp__assembly_2__model_1

4xgp__assembly_2__model_1 | I(q)

4xgp__assembly_2__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 non-polymer

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) 12 domains

SCOP 2.08 (8 domains)

CATH v4.4 (4 domains)

7. Citations (1)