SAXSdb — 2dd5

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

Thiocyanate hydrolase alpha subunit

OrganismNot specified

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 12	Thiocyanate hydrolase beta subunit × 4 （O66186） Thiocyanate hydrolase gamma subunit × 4 （O66188） SULFATE ION × 12 COBALT (III) ION × 4 water × 12	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	SCNA_THITI
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 2–126； UniProt 1–125 Author chain D； PDBConstruct 2–126； UniProt 1–125 Author chain G； PDBConstruct 2–126； UniProt 1–125 Author chain J； PDBConstruct 2–126； UniProt 1–125

Thiocyanate hydrolase beta subunit

OrganismNot specified

UniProt O66186

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 12	Thiocyanate hydrolase alpha subunit × 4 （O66187） Thiocyanate hydrolase gamma subunit × 4 （O66188） SULFATE ION × 12 COBALT (III) ION × 4 water × 12	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	SCNB_THITI
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 2–157； UniProt 1–156 Author chain E； PDBConstruct 2–157； UniProt 1–156 Author chain H； PDBConstruct 2–157； UniProt 1–156 Author chain K； PDBConstruct 2–157； UniProt 1–156

Thiocyanate hydrolase gamma subunit

OrganismNot specified

UniProt O66188

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 12	Thiocyanate hydrolase alpha subunit × 4 （O66187） Thiocyanate hydrolase beta subunit × 4 （O66186） SULFATE ION × 12 COBALT (III) ION × 4 water × 12	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	SCNC_THITI
Isoform	—
PDB entities	3
Chains and sequence ranges	Author chain C； PDBConstruct 2–243； UniProt 1–242 Author chain F； PDBConstruct 2–243； UniProt 1–242 Author chain I； PDBConstruct 2–243； UniProt 1–242 Author chain L； PDBConstruct 2–243； UniProt 1–242

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	2dd5
Deposition date deposition_date	2006-01-19
Structure title title	Thiocyanate hydrolase (SCNase) from Thiobacillus thioparus native holo-enzyme
Keywords keywords	;hydrolase, cobalt, metalloprotein, sulfenic acid, sulfinic acid, nitrile hydratase, thiocyanate, carbonyl sulfide, claw setting, protein, enzyme, complex, model complex, non-corrin ;; 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.

2dd5__assembly_1__model_1

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

Download this curve (.dat)

2dd5__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

2dd5__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	38.30 Å
Rg (electron density)	37.70 Å
Total Rg	38.22 Å
Atom count	15772
Residues	1947
Excluded volume	279610 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`2dd5__assembly_1__model_1`	dodecameric （12）	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	Thiocyanate hydrolase alpha subunit
Molecular weight formula_weight	14507.2 kDa
EC 编号 ec_number	3.5.5.8
Source method src_method	nat
Copy count entity_count	4

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,D,G,J
Atom count atom_count	17962

MSDSHHKPVWDRTHHAKMATGIGDPQCFKGMAGKSKFNVGDRVRIKDLPDLFYTRTMTYTRGATGTIVRLVYESPAAEDEAFGNEENVEWFYSIVFAQKDLWPEYSDTFANDTLETEIPERYLEKA

Entity 2 Entity 2 polymer

Description description	Thiocyanate hydrolase beta subunit
Molecular weight formula_weight	18065.5 kDa
EC 编号 ec_number	3.5.5.8
Source method src_method	nat
Copy count entity_count	4

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B,E,H,K

MSSSIREEVHRHLGTVALMQPALHQQTHAPAPTEITHTLFRAYTRVPHDVGGEADVPIEYHEKEEEIWELNTFATCECLAWRGVWTAEERRRKQNCDVGQTVYLGMPYYGRWLLTAARILVDKQFVTLTELHNKIVEMRERVASGQGLGEYLPPKAK

Entity 3 Entity 3 polymer

Description description	Thiocyanate hydrolase gamma subunit
Molecular weight formula_weight	27619.4 kDa
EC 编号 ec_number	3.5.5.8
Source method src_method	nat
Copy count entity_count	4

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	C,F,I,L

MSADHDHDHDHDHDHKPAPMVEEVSDFEILEMAVRELAIEKGLFSAEDHRVWKDYVHTLGPLPAARLVAKAWLDPEYKKLCIEDGVEASKAVGVNWVTSPPTQFGTPSDYCNLRVLADSPTLKHVVVCTLCSCYPRPILGQSPEWYRSPNYRRRLVRWPRQVLAEFGLQLPSEVQIRVADSNQKTRYIVMPVRPEGTDGWTEDQLAEIVTRDCLIGVAVPKPGITVNAKRPVLKANRPVHHDH

Entity 4 Entity 4 non-polymer

Description description	SULFATE ION
Molecular weight formula_weight	96.1 kDa
Source method src_method	syn
Copy count entity_count	12

Entity 5 Entity 5 non-polymer

Description description	COBALT (III) ION
Molecular weight formula_weight	58.9 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 6 Entity 6 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	2190

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6. Fold Classification (SCOP + CATH) 12 domains

CATH v4.4 (12 domains)

Domain ID domain_id	2dd5A00
Class class	2 — Mainly Beta
Architecture architecture	30 — Roll
Topology topology	30 — SH3 type barrels.
Homologous superfamily homologous superfamily	50 —

Domain ID domain_id	2dd5B00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	472 — Cyclin A; domain 1
Homologous superfamily homologous superfamily	20 — Nitrile hydratase, beta subunit

Domain ID domain_id	2dd5C00
Class class	3 — Alpha Beta
Architecture architecture	90 — Alpha-Beta Complex
Topology topology	330 — Nitrile Hydratase; Chain A
Homologous superfamily homologous superfamily	10 — Nitrile hydratase alpha /Thiocyanate hydrolase gamma

Domain ID domain_id	2dd5D00
Class class	2 — Mainly Beta
Architecture architecture	30 — Roll
Topology topology	30 — SH3 type barrels.
Homologous superfamily homologous superfamily	50 —

Domain ID domain_id	2dd5E00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	472 — Cyclin A; domain 1
Homologous superfamily homologous superfamily	20 — Nitrile hydratase, beta subunit

Domain ID domain_id	2dd5F00
Class class	3 — Alpha Beta
Architecture architecture	90 — Alpha-Beta Complex
Topology topology	330 — Nitrile Hydratase; Chain A
Homologous superfamily homologous superfamily	10 — Nitrile hydratase alpha /Thiocyanate hydrolase gamma

Domain ID domain_id	2dd5G00
Class class	2 — Mainly Beta
Architecture architecture	30 — Roll
Topology topology	30 — SH3 type barrels.
Homologous superfamily homologous superfamily	50 —

Domain ID domain_id	2dd5H00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	472 — Cyclin A; domain 1
Homologous superfamily homologous superfamily	20 — Nitrile hydratase, beta subunit

Domain ID domain_id	2dd5I00
Class class	3 — Alpha Beta
Architecture architecture	90 — Alpha-Beta Complex
Topology topology	330 — Nitrile Hydratase; Chain A
Homologous superfamily homologous superfamily	10 — Nitrile hydratase alpha /Thiocyanate hydrolase gamma

Domain ID domain_id	2dd5J00
Class class	2 — Mainly Beta
Architecture architecture	30 — Roll
Topology topology	30 — SH3 type barrels.
Homologous superfamily homologous superfamily	50 —

Domain ID domain_id	2dd5K00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	472 — Cyclin A; domain 1
Homologous superfamily homologous superfamily	20 — Nitrile hydratase, beta subunit

Domain ID domain_id	2dd5L00
Class class	3 — Alpha Beta
Architecture architecture	90 — Alpha-Beta Complex
Topology topology	330 — Nitrile Hydratase; Chain A
Homologous superfamily homologous superfamily	10 — Nitrile hydratase alpha /Thiocyanate hydrolase gamma

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Unit-cell length a length_a	170.187 Å
Unit-cell length b length_b	170.187 Å
Unit-cell length c length_c	282.469 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	32

Space group space_group	P 43 21 2
Space-group number int_tables_number	96
Crystal system crystal_system	—

Resolution resolution	2.000 Å
Low-resolution limit resolution_low	37.800 Å
R factor r_factor	0.1850
R_work r_work	0.1850
R_free r_free	0.2050

Thiocyanate hydrolase (SCNase) from Thiobacillus thioparus native holo-enzyme

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

Thiocyanate hydrolase alpha subunit

State in the Current Structure

Other States of the Same Protein in the Database

Thiocyanate hydrolase beta subunit

State in the Current Structure

Other States of the Same Protein in the Database

Thiocyanate hydrolase gamma subunit

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

2dd5__assembly_1__model_1

2dd5__assembly_1__model_1 | I(q)

2dd5__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 (6)

Entity 1 Entity 1 polymer

Polymer Polymer

Entity 2 Entity 2 polymer

Polymer Polymer

Entity 3 Entity 3 polymer

Polymer 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

CATH v4.4 (12 domains)

7. Citations (1)

Thiocyanate hydrolase (SCNase) from Thiobacillus thioparus native holo-enzyme

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

Thiocyanate hydrolase alpha subunit

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Thiocyanate hydrolase beta subunit

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Thiocyanate hydrolase gamma subunit

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

2dd5__assembly_1__model_1

2dd5__assembly_1__model_1 | I(q)

2dd5__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 (6)

Entity 1 Entity 1 polymer

Polymer Polymer

Entity 2 Entity 2 polymer

Polymer Polymer

Entity 3 Entity 3 polymer

Polymer 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

CATH v4.4 (12 domains)

7. Citations (1)