3jqj

Crystal structure of the molybdenum cofactor biosynthesis protein C (TTHA1789) from Thermus Theromophilus HB8

Method: X-RAY DIFFRACTION

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

Molybdenum cofactor biosynthesis protein C

Thermus thermophilus

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein homooligomer	Homooligomer	Protein 6	PHOSPHATE ION × 6 R-1,2-PROPANEDIOL × 5 GLYCEROL × 6 water × 6	Consistent with protein count
2	Protein homooligomer	Homooligomer	Protein 6	PHOSPHATE ION × 6 R-1,2-PROPANEDIOL × 5 GLYCEROL × 6 water × 6	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	Q5SHE1_THET8
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–157； UniProt 1–157 Author chain B； PDBConstruct 1–157； UniProt 1–157 Author chain C； PDBConstruct 1–157； UniProt 1–157 Author chain D； PDBConstruct 1–157； UniProt 1–157 Author chain E； PDBConstruct 1–157； UniProt 1–157 Author chain F； PDBConstruct 1–157； UniProt 1–157 Author chain G； PDBConstruct 1–157； UniProt 1–157 Author chain H； PDBConstruct 1–157； UniProt 1–157 Author chain I； PDBConstruct 1–157； UniProt 1–157 Author chain J； PDBConstruct 1–157； UniProt 1–157 Author chain K； PDBConstruct 1–157； UniProt 1–157 Author chain L； PDBConstruct 1–157； UniProt 1–157

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	3jqj
Deposition date deposition_date	2009-09-07
Structure title title	Crystal structure of the molybdenum cofactor biosynthesis protein C (TTHA1789) from Thermus Theromophilus HB8
Keywords keywords	;MOAC, MOLYBDENUM COFACTOR (MOCO), MOCO BIOSYNTHESIS, STRUCTURAL GENOMICS, NPPSFA, NATIONAL PROJECT ON PROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES, RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE, RSGI, BIOSYNTHETIC PROTEIN, Molybdenum cofactor biosynthesis ;; BIOSYNTHETIC PROTEIN
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.

3jqj__assembly_1__model_1

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

Download this curve (.dat)

3jqj__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

3jqj__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	27.09 Å
Rg (electron density)	25.80 Å
Total Rg	26.61 Å
Atom count	6699
Residues	885
Excluded volume	121230 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`3jqj__assembly_1__model_1`	hexameric （6）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`3jqj__assembly_2__model_1`	hexameric （6）	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 (5)

Entity 1 Entity 1 polymer

Description description	Molybdenum cofactor biosynthesis protein C
Molecular weight formula_weight	16946.7 kDa
Source method src_method	man
Copy count entity_count	12

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C,D,E,F,G,H,I,J,K,L
Atom count atom_count	14581

MDLTHFQDGRPRMVDVTEKPETFRTATAEAFVELTEEALSALEKGGVGKGDPLVVAQLAGILAAKKTADLIPLCHPLPLTGVEVRVELLKAEKRVRIEATVKTKAETGVEMEAMTACAVAALTVYDMLKAASKGLVISQVRLLHKAGGKSGEWRREQ

Source Source

Source organism organism	Thermus thermophilus
NCBI taxonomy ID ncbi_taxonomy_id	300852
Host organism host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	PHOSPHATE ION
Molecular weight formula_weight	95.0 kDa
Source method src_method	syn
Copy count entity_count	12

Entity 3 Entity 3 non-polymer

Description description	R-1,2-PROPANEDIOL
Molecular weight formula_weight	76.1 kDa
Source method src_method	syn
Copy count entity_count	10

Entity 4 Entity 4 non-polymer

Description description	GLYCEROL
Molecular weight formula_weight	92.1 kDa
Source method src_method	syn
Copy count entity_count	12

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	1181

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6. Fold Classification (SCOP + CATH) 24 domains

SCOP 2.08 (12 domains)

Domain ID domain_id	d3jqja_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.58 — Ferredoxin-like
Superfamily Superfamily superfamily	d.58.21 — Molybdenum cofactor biosynthesis protein C, MoaC
Family Family family	d.58.21.0 — automated matches

Domain ID domain_id	d3jqjb_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.58 — Ferredoxin-like
Superfamily Superfamily superfamily	d.58.21 — Molybdenum cofactor biosynthesis protein C, MoaC
Family Family family	d.58.21.0 — automated matches

Domain ID domain_id	d3jqjc_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.58 — Ferredoxin-like
Superfamily Superfamily superfamily	d.58.21 — Molybdenum cofactor biosynthesis protein C, MoaC
Family Family family	d.58.21.0 — automated matches

Domain ID domain_id	d3jqjd_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.58 — Ferredoxin-like
Superfamily Superfamily superfamily	d.58.21 — Molybdenum cofactor biosynthesis protein C, MoaC
Family Family family	d.58.21.0 — automated matches

Domain ID domain_id	d3jqje_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.58 — Ferredoxin-like
Superfamily Superfamily superfamily	d.58.21 — Molybdenum cofactor biosynthesis protein C, MoaC
Family Family family	d.58.21.0 — automated matches

Domain ID domain_id	d3jqjf_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.58 — Ferredoxin-like
Superfamily Superfamily superfamily	d.58.21 — Molybdenum cofactor biosynthesis protein C, MoaC
Family Family family	d.58.21.0 — automated matches

Domain ID domain_id	d3jqjg_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.58 — Ferredoxin-like
Superfamily Superfamily superfamily	d.58.21 — Molybdenum cofactor biosynthesis protein C, MoaC
Family Family family	d.58.21.0 — automated matches

Domain ID domain_id	d3jqjh_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.58 — Ferredoxin-like
Superfamily Superfamily superfamily	d.58.21 — Molybdenum cofactor biosynthesis protein C, MoaC
Family Family family	d.58.21.0 — automated matches

Domain ID domain_id	d3jqji_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.58 — Ferredoxin-like
Superfamily Superfamily superfamily	d.58.21 — Molybdenum cofactor biosynthesis protein C, MoaC
Family Family family	d.58.21.0 — automated matches

Domain ID domain_id	d3jqjj_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.58 — Ferredoxin-like
Superfamily Superfamily superfamily	d.58.21 — Molybdenum cofactor biosynthesis protein C, MoaC
Family Family family	d.58.21.0 — automated matches

Domain ID domain_id	d3jqjk_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.58 — Ferredoxin-like
Superfamily Superfamily superfamily	d.58.21 — Molybdenum cofactor biosynthesis protein C, MoaC
Family Family family	d.58.21.0 — automated matches

Domain ID domain_id	d3jqjl_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.58 — Ferredoxin-like
Superfamily Superfamily superfamily	d.58.21 — Molybdenum cofactor biosynthesis protein C, MoaC
Family Family family	d.58.21.0 — automated matches

CATH v4.4 (12 domains)

Domain ID domain_id	3jqjA00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily	640 — Molybdopterin cofactor biosynthesis C (MoaC) domain

Domain ID domain_id	3jqjB00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily	640 — Molybdopterin cofactor biosynthesis C (MoaC) domain

Domain ID domain_id	3jqjC00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily	640 — Molybdopterin cofactor biosynthesis C (MoaC) domain

Domain ID domain_id	3jqjD00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily	640 — Molybdopterin cofactor biosynthesis C (MoaC) domain

Domain ID domain_id	3jqjE00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily	640 — Molybdopterin cofactor biosynthesis C (MoaC) domain

Domain ID domain_id	3jqjF00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily	640 — Molybdopterin cofactor biosynthesis C (MoaC) domain

Domain ID domain_id	3jqjG00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily	640 — Molybdopterin cofactor biosynthesis C (MoaC) domain

Domain ID domain_id	3jqjH00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily	640 — Molybdopterin cofactor biosynthesis C (MoaC) domain

Domain ID domain_id	3jqjI00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily	640 — Molybdopterin cofactor biosynthesis C (MoaC) domain

Domain ID domain_id	3jqjJ00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily	640 — Molybdopterin cofactor biosynthesis C (MoaC) domain

Domain ID domain_id	3jqjK00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily	640 — Molybdopterin cofactor biosynthesis C (MoaC) domain

Domain ID domain_id	3jqjL00
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	70 — Alpha-Beta Plaits
Homologous superfamily homologous superfamily	640 — Molybdopterin cofactor biosynthesis C (MoaC) domain

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Unit-cell length a length_a	64.809 Å
Unit-cell length b length_b	109.836 Å
Unit-cell length c length_c	115.192 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	104.86 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	24

Space group space_group	P 1 21 1
Space-group number int_tables_number	4
Crystal system crystal_system	—

Resolution resolution	1.900 Å
Low-resolution limit resolution_low	49.660 Å
R factor r_factor	0.1880
R_work r_work	0.1880
R_free r_free	0.2190

Crystal structure of the molybdenum cofactor biosynthesis protein C (TTHA1789) from Thermus Theromophilus HB8

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

Molybdenum cofactor biosynthesis protein C

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

3jqj__assembly_1__model_1

3jqj__assembly_1__model_1 | I(q)

3jqj__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

5. Entities and Polymers Entities & Polymers (5)

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 water

6. Fold Classification (SCOP + CATH) 24 domains

SCOP 2.08 (12 domains)

CATH v4.4 (12 domains)

7. Citations (1)

Crystal structure of the molybdenum cofactor biosynthesis protein C (TTHA1789) from Thermus Theromophilus HB8

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

Molybdenum cofactor biosynthesis protein C

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

3jqj__assembly_1__model_1

3jqj__assembly_1__model_1 | I(q)

3jqj__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

5. Entities and Polymers Entities & Polymers (5)

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 water

6. Fold Classification (SCOP + CATH) 24 domains

SCOP 2.08 (12 domains)

CATH v4.4 (12 domains)

7. Citations (1)