2htm

Crystal structure of TTHA0676 from Thermus thermophilus HB8

Method: X-RAY DIFFRACTION

▼

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

Thiazole biosynthesis protein thiG

Thermus thermophilus

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 4	Putative thiamine biosynthesis protein ThiS × 2 （Q5SKG8） water × 4	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 4	Putative thiamine biosynthesis protein ThiS × 2 （Q5SKG8） water × 4	Consistent with protein count
3	Protein heterocomplex	Heteromer	Protein 8	Putative thiamine biosynthesis protein ThiS × 4 （Q5SKG8） water × 8	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	THIG_THET8
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–268； UniProt 1–268 Author chain B； PDBConstruct 1–268； UniProt 1–268 Author chain C； PDBConstruct 1–268； UniProt 1–268 Author chain D； PDBConstruct 1–268； UniProt 1–268

Putative thiamine biosynthesis protein ThiS

Thermus thermophilus

UniProt Q5SKG8

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein heterocomplex	Heteromer	Protein 4	Thiazole biosynthesis protein thiG × 2 （Q5SKG7） water × 4	Consistent with protein count
2	Protein heterocomplex	Heteromer	Protein 4	Thiazole biosynthesis protein thiG × 2 （Q5SKG7） water × 4	Consistent with protein count
3	Protein heterocomplex	Heteromer	Protein 8	Thiazole biosynthesis protein thiG × 4 （Q5SKG7） water × 8	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	Q5SKG8_THET8
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain E； PDBConstruct 1–64； UniProt 1–64 Author chain F； PDBConstruct 1–64； UniProt 1–64 Author chain G； PDBConstruct 1–64； UniProt 1–64 Author chain H； PDBConstruct 1–64； UniProt 1–64

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.

▼

2. Structure Basics 2. Structure Basics

Entry ID entry_id	2htm
Deposition date deposition_date	2006-07-26
Structure title title	Crystal structure of TTHA0676 from Thermus thermophilus HB8
Keywords keywords	;thiamin biosynthesis, ThiG, Thermus thermophilus HB8, Structural Genomics, NPPSFA, National Project on Protein Structural and Functional Analyses, RIKEN Structural Genomics/Proteomics Initiative, RSGI, BIOSYNTHETIC PROTEIN ;; BIOSYNTHETIC PROTEIN
Experimental Method method	X-RAY DIFFRACTION

▼

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.

2htm__assembly_1__model_1

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

Download this curve (.dat)

2htm__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

2htm__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	31.79 Å
Rg (electron density)	31.95 Å
Total Rg	32.38 Å
Atom count	4487
Residues	589
Excluded volume	81351 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`2htm__assembly_1__model_1`	tetrameric （4）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`2htm__assembly_2__model_1`	tetrameric （4）	Success	4.1.3-1-20251215 (887e7ef)	View Download
3	1	`2htm__assembly_3__model_1`	octameric （8）	Success	4.1.3-1-20251215 (887e7ef)	View Download

▶

4. Crystallography and Experiment 4. Crystallography & Experiment

▶

5. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Description description	Thiazole biosynthesis protein thiG
Molecular weight formula_weight	28482.2 kDa
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	9392

MDTWKVGPVELKSRLILGSGKYEDFGVMREAIAAAKAEVVTVSVRRVELKAPGHVGLLEALEGVRLLPNTAGARTAEEAVRLARLGRLLTGERWVKLEVIPDPTYLLPDPLETLKAAERLIEEDFLVLPYMGPDLVLAKRLAALGTATVMPLAAPIGSGWGVRTRALLELFAREKASLPPVVVDAGLGLPSHAAEVMELGLDAVLVNTAIAEAQDPPAMAEAFRLAVEAGRKAYLAGPMRPREAASPSSPVEGVPFTPTGPRPGRGPQ

Source Source

Source organism organism	Thermus thermophilus
NCBI taxonomy ID ncbi_taxonomy_id	274
Host organism host_organism	Escherichia coli BL21(DE3)

Entity 2 Entity 2 polymer

Description description	Putative thiamine biosynthesis protein ThiS
Molecular weight formula_weight	7132.8 kDa
Source method src_method	man
Copy count entity_count	4

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	E,F,G,H

MVWLNGEPRPLEGKTLKEVLEEMGVELKGVAVLLNEEAFLGLEVPDRPLRDGDVVEVVALMQGG

Source Source

Source organism organism	Thermus thermophilus
NCBI taxonomy ID ncbi_taxonomy_id	274
Host organism host_organism	Escherichia coli BL21(DE3)

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	359

▼

6. Fold Classification (SCOP + CATH) 16 domains

SCOP 2.08 (8 domains)

Domain ID domain_id	d2htma_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.1 — TIM beta/alpha-barrel
Superfamily Superfamily superfamily	c.1.31 — ThiG-like
Family Family family	c.1.31.0 — automated matches

Domain ID domain_id	d2htmb_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.1 — TIM beta/alpha-barrel
Superfamily Superfamily superfamily	c.1.31 — ThiG-like
Family Family family	c.1.31.0 — automated matches

Domain ID domain_id	d2htmc_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.1 — TIM beta/alpha-barrel
Superfamily Superfamily superfamily	c.1.31 — ThiG-like
Family Family family	c.1.31.0 — automated matches

Domain ID domain_id	d2htmd_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.1 — TIM beta/alpha-barrel
Superfamily Superfamily superfamily	c.1.31 — ThiG-like
Family Family family	c.1.31.0 — automated matches

Domain ID domain_id	d2htme_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.15 — beta-Grasp (ubiquitin-like)
Superfamily Superfamily superfamily	d.15.3 — MoaD/ThiS
Family Family family	d.15.3.2 — ThiS

Domain ID domain_id	d2htmf_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.15 — beta-Grasp (ubiquitin-like)
Superfamily Superfamily superfamily	d.15.3 — MoaD/ThiS
Family Family family	d.15.3.2 — ThiS

Domain ID domain_id	d2htmg_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.15 — beta-Grasp (ubiquitin-like)
Superfamily Superfamily superfamily	d.15.3 — MoaD/ThiS
Family Family family	d.15.3.2 — ThiS

Domain ID domain_id	d2htmh_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.15 — beta-Grasp (ubiquitin-like)
Superfamily Superfamily superfamily	d.15.3 — MoaD/ThiS
Family Family family	d.15.3.2 — ThiS

CATH v4.4 (8 domains)

Domain ID domain_id	2htmA00
Class class	3 — Alpha Beta
Architecture architecture	20 — Alpha-Beta Barrel
Topology topology	20 — TIM Barrel
Homologous superfamily homologous superfamily	70 — Aldolase class I

Domain ID domain_id	2htmB00
Class class	3 — Alpha Beta
Architecture architecture	20 — Alpha-Beta Barrel
Topology topology	20 — TIM Barrel
Homologous superfamily homologous superfamily	70 — Aldolase class I

Domain ID domain_id	2htmC00
Class class	3 — Alpha Beta
Architecture architecture	20 — Alpha-Beta Barrel
Topology topology	20 — TIM Barrel
Homologous superfamily homologous superfamily	70 — Aldolase class I

Domain ID domain_id	2htmD00
Class class	3 — Alpha Beta
Architecture architecture	20 — Alpha-Beta Barrel
Topology topology	20 — TIM Barrel
Homologous superfamily homologous superfamily	70 — Aldolase class I

Domain ID domain_id	2htmE00
Class class	3 — Alpha Beta
Architecture architecture	10 — Roll
Topology topology	20 — Ubiquitin-like (UB roll)
Homologous superfamily homologous superfamily	30 — Beta-grasp domain

Domain ID domain_id	2htmF00
Class class	3 — Alpha Beta
Architecture architecture	10 — Roll
Topology topology	20 — Ubiquitin-like (UB roll)
Homologous superfamily homologous superfamily	30 — Beta-grasp domain

Domain ID domain_id	2htmG00
Class class	3 — Alpha Beta
Architecture architecture	10 — Roll
Topology topology	20 — Ubiquitin-like (UB roll)
Homologous superfamily homologous superfamily	30 — Beta-grasp domain

Domain ID domain_id	2htmH00
Class class	3 — Alpha Beta
Architecture architecture	10 — Roll
Topology topology	20 — Ubiquitin-like (UB roll)
Homologous superfamily homologous superfamily	30 — Beta-grasp domain

▶

Unit-cell length a length_a	47.339 Å
Unit-cell length b length_b	73.511 Å
Unit-cell length c length_c	100.911 Å
Unit-cell angle α angle_alpha	68.64 °
Unit-cell angle β angle_beta	80.16 °
Unit-cell angle γ angle_gamma	79.09 °
Molecules per unit cell Z z_pdb	4

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

Resolution resolution	2.300 Å
Low-resolution limit resolution_low	19.960 Å
R factor r_factor	0.2530
R_work r_work	0.2530
R_free r_free	0.2660

Crystal structure of TTHA0676 from Thermus thermophilus HB8

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

Thiazole biosynthesis protein thiG

State in the Current Structure

Other States of the Same Protein in the Database

Putative thiamine biosynthesis protein ThiS

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

2htm__assembly_1__model_1

2htm__assembly_1__model_1 | I(q)

2htm__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 (3)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 polymer

Polymer Polymer

Source Source

Entity 3 Entity 3 water

6. Fold Classification (SCOP + CATH) 16 domains

SCOP 2.08 (8 domains)

CATH v4.4 (8 domains)

7. Citations (1)

Crystal structure of TTHA0676 from Thermus thermophilus HB8

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

Thiazole biosynthesis protein thiG

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

Putative thiamine biosynthesis protein ThiS

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

2htm__assembly_1__model_1

2htm__assembly_1__model_1 | I(q)

2htm__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 (3)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 polymer

Polymer Polymer

Source Source

Entity 3 Entity 3 water

6. Fold Classification (SCOP + CATH) 16 domains

SCOP 2.08 (8 domains)

CATH v4.4 (8 domains)

7. Citations (1)