SAXSdb — 2wqk

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

;5'-NUCLEOTIDASE SURE ;

AQUIFEX AEOLICUS

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein homooligomer	Homooligomer	Protein 4	SULFATE ION × 4 SODIUM ION × 4 water × 4	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	SURE_AQUAE
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–251； UniProt 1–251 Author chain B； PDBConstruct 1–251； UniProt 1–251

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	2wqk
Deposition date deposition_date	2009-08-23
Structure title title	Crystal Structure of Sure Protein from Aquifex aeolicus
Keywords keywords	;SURE PROTEIN, PUTATIVE ACID PHOSPHATASE, STRUCTURAL GENOMICS, 3-D STRUCTURE, MIXED ALPHA/BETA PROTEIN, NPPSFA, NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, 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.

2wqk__assembly_1__model_1

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

Download this curve (.dat)

2wqk__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

2wqk__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	30.45 Å
Rg (electron density)	29.73 Å
Total Rg	30.56 Å
Atom count	7880
Residues	992
Excluded volume	141460 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`2wqk__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 (4)

Entity 1 Entity 1 polymer

Description description	;5'-NUCLEOTIDASE SURE ;
Molecular weight formula_weight	28197.2 kDa
EC 编号 ec_number	3.1.3.5
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	4735

MPTFLLVNDDGYFSPGINALREALKSLGRVVVVAPDRNLSGVGHSLTFTEPLKMRKIDTDFYTVIDGTPADCVHLGYRVILEEKKPDLVLSGINEGPNLGEDITYSGTVSGAMEGRILGIPSIAFSAFGRENIMFEEIAKVCVDIVKKVLNEGIPEDTYLNVNIPNLRYEEIKGIKVTRQGKRAYKERVFKYIDPYGKPFYWIAAEEFGWHAEEGTDYWAVLNGYVSVTPLHLDLTNYKVMKSIKYLEDSP

Source Source

Source organism organism	AQUIFEX AEOLICUS
NCBI taxonomy ID ncbi_taxonomy_id	224324
Host organism host_organism	ESCHERICHIA COLI

Entity 2 Entity 2 non-polymer

Description description	SULFATE ION
Molecular weight formula_weight	96.1 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 3 Entity 3 non-polymer

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

Entity 4 Entity 4 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	605

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6. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d2wqka_
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	d2wqkb_
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

CATH v4.4 (2 domains)

Domain ID domain_id	2wqkA00
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	2wqkB00
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	65.006 Å
Unit-cell length b length_b	65.006 Å
Unit-cell length c length_c	239.194 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	120.00 °
Molecules per unit cell Z z_pdb	12

Space group space_group	P 32 2 1
Space-group number int_tables_number	154
Crystal system crystal_system	—

Resolution resolution	1.500 Å
Low-resolution limit resolution_low	36.470 Å
R factor r_factor	0.1575
R_work r_work	0.1557
R_free r_free	0.1908

Crystal Structure of Sure Protein from Aquifex aeolicus

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

;5'-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

2wqk__assembly_1__model_1

2wqk__assembly_1__model_1 | I(q)

2wqk__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 (4)

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 water

6. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

CATH v4.4 (2 domains)

7. Citations (1)

Crystal Structure of Sure Protein from Aquifex aeolicus

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

;5'-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

2wqk__assembly_1__model_1

2wqk__assembly_1__model_1 | I(q)

2wqk__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 (4)

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 water

6. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

CATH v4.4 (2 domains)

7. Citations (1)