2qrw

Crystal structure of Mycobacterium tuberculosis trHbO WG8F mutant

Method: X-RAY DIFFRACTION

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

Hemoglobin-like protein HbO

Mycobacterium tuberculosis

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein homooligomer	Homooligomer	Protein 2	CYANIDE ION × 2 SULFATE ION × 4 PROTOPORPHYRIN IX CONTAINING FE × 2 water × 2	Consistent with protein count
2	Protein homooligomer	Homooligomer	Protein 2	CYANIDE ION × 2 SULFATE ION × 6 PROTOPORPHYRIN IX CONTAINING FE × 2 water × 2	Consistent with protein count
3	Protein homooligomer	Homooligomer	Protein 2	CYANIDE ION × 2 SULFATE ION × 1 PROTOPORPHYRIN IX CONTAINING FE × 2 water × 2	Consistent with protein count
4	Protein homooligomer	Homooligomer	Protein 2	CYANIDE ION × 2 SULFATE ION × 5 PROTOPORPHYRIN IX CONTAINING FE × 2 water × 2	Consistent with protein count
5	Protein homooligomer	Homooligomer	Protein 2	CYANIDE ION × 2 SULFATE ION × 3 PROTOPORPHYRIN IX CONTAINING FE × 2 water × 2	Consistent with protein count
6	Protein homooligomer	Homooligomer	Protein 2	CYANIDE ION × 2 SULFATE ION × 4 PROTOPORPHYRIN IX CONTAINING FE × 2 water × 2	Consistent with protein count
7	Protein homooligomer	Homooligomer	Protein 4	CYANIDE ION × 4 SULFATE ION × 7 PROTOPORPHYRIN IX CONTAINING FE × 4 water × 4	Consistent with protein count
8	Protein homooligomer	Homooligomer	Protein 4	CYANIDE ION × 4 SULFATE ION × 11 PROTOPORPHYRIN IX CONTAINING FE × 4 water × 4	Consistent with protein count
9	Protein homooligomer	Homooligomer	Protein 4	CYANIDE ION × 4 SULFATE ION × 5 PROTOPORPHYRIN IX CONTAINING FE × 4 water × 4	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	GLBO_MYCTU
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–128； UniProt 1–128 Author chain B； PDBConstruct 1–128； UniProt 1–128 Author chain C； PDBConstruct 1–128； UniProt 1–128 Author chain D； PDBConstruct 1–128； UniProt 1–128 Author chain E； PDBConstruct 1–128； UniProt 1–128 Author chain F； PDBConstruct 1–128； UniProt 1–128 Author chain G； PDBConstruct 1–128； UniProt 1–128 Author chain H； PDBConstruct 1–128； UniProt 1–128 Author chain I； PDBConstruct 1–128； UniProt 1–128 Author chain J； PDBConstruct 1–128； UniProt 1–128 Author chain K； PDBConstruct 1–128； UniProt 1–128 Author chain L； PDBConstruct 1–128； UniProt 1–128

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	2qrw
Deposition date deposition_date	2007-07-30
Structure title title	Crystal structure of Mycobacterium tuberculosis trHbO WG8F mutant
Keywords keywords	;truncated hemoglobin fold, alpha helix, Heme, Hydroxylation, Iron, Membrane, Metal-binding, Oxygen transport, Transport, TRANSPORT PROTEIN ;; TRANSPORT 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.

2qrw__assembly_1__model_1

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

Download this curve (.dat)

2qrw__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

2qrw__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	22.04 Å
Rg (electron density)	21.07 Å
Total Rg	21.86 Å
Atom count	2194
Residues	254
Excluded volume	38392 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`2qrw__assembly_1__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`2qrw__assembly_2__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
3	1	`2qrw__assembly_3__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
4	1	`2qrw__assembly_4__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
5	1	`2qrw__assembly_5__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
6	1	`2qrw__assembly_6__model_1`	dimeric （2）	Success	4.1.3-1-20251215 (887e7ef)	View Download
7	1	`2qrw__assembly_7__model_1`	tetrameric （4）	Success	4.1.3-1-20251215 (887e7ef)	View Download
8	1	`2qrw__assembly_8__model_1`	tetrameric （4）	Success	4.1.3-1-20251215 (887e7ef)	View Download
9	1	`2qrw__assembly_9__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 (5)

Entity 1 Entity 1 polymer

Description description	Hemoglobin-like protein HbO
Molecular weight formula_weight	14932.8 kDa
Mutation mutation	W88F
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	15001

MPKSFYDAVGGAKTFDAIVSRFYAQVAEDEVLRRVYPEDDLAGAEERLRMFLEQYWGGPRTYSEQRGHPRLRMRHAPFRISLIERDAFLRCMHTAVASIDSETLDDEHRRELLDYLEMAAHSLVNSPF

Source Source

Source organism organism	Mycobacterium tuberculosis
NCBI taxonomy ID ncbi_taxonomy_id	1773
Host organism host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	CYANIDE ION
Molecular weight formula_weight	26.0 kDa
Source method src_method	syn
Copy count entity_count	12

Entity 3 Entity 3 non-polymer

Description description	SULFATE ION
Molecular weight formula_weight	96.1 kDa
Source method src_method	syn
Copy count entity_count	23

Entity 4 Entity 4 non-polymer

Description description	PROTOPORPHYRIN IX CONTAINING FE
Molecular weight formula_weight	616.5 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	1696

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6. Fold Classification (SCOP + CATH) 24 domains

SCOP 2.08 (12 domains)

Domain ID domain_id	d2qrwa_
Class class	a — All alpha proteins
Fold Fold fold	a.1 — Globin-like
Superfamily Superfamily superfamily	a.1.1 — Globin-like
Family Family family	a.1.1.1 — Truncated hemoglobin

Domain ID domain_id	d2qrwb_
Class class	a — All alpha proteins
Fold Fold fold	a.1 — Globin-like
Superfamily Superfamily superfamily	a.1.1 — Globin-like
Family Family family	a.1.1.1 — Truncated hemoglobin

Domain ID domain_id	d2qrwc_
Class class	a — All alpha proteins
Fold Fold fold	a.1 — Globin-like
Superfamily Superfamily superfamily	a.1.1 — Globin-like
Family Family family	a.1.1.1 — Truncated hemoglobin

Domain ID domain_id	d2qrwd_
Class class	a — All alpha proteins
Fold Fold fold	a.1 — Globin-like
Superfamily Superfamily superfamily	a.1.1 — Globin-like
Family Family family	a.1.1.1 — Truncated hemoglobin

Domain ID domain_id	d2qrwe_
Class class	a — All alpha proteins
Fold Fold fold	a.1 — Globin-like
Superfamily Superfamily superfamily	a.1.1 — Globin-like
Family Family family	a.1.1.1 — Truncated hemoglobin

Domain ID domain_id	d2qrwf_
Class class	a — All alpha proteins
Fold Fold fold	a.1 — Globin-like
Superfamily Superfamily superfamily	a.1.1 — Globin-like
Family Family family	a.1.1.1 — Truncated hemoglobin

Domain ID domain_id	d2qrwg_
Class class	a — All alpha proteins
Fold Fold fold	a.1 — Globin-like
Superfamily Superfamily superfamily	a.1.1 — Globin-like
Family Family family	a.1.1.1 — Truncated hemoglobin

Domain ID domain_id	d2qrwh_
Class class	a — All alpha proteins
Fold Fold fold	a.1 — Globin-like
Superfamily Superfamily superfamily	a.1.1 — Globin-like
Family Family family	a.1.1.1 — Truncated hemoglobin

Domain ID domain_id	d2qrwi_
Class class	a — All alpha proteins
Fold Fold fold	a.1 — Globin-like
Superfamily Superfamily superfamily	a.1.1 — Globin-like
Family Family family	a.1.1.1 — Truncated hemoglobin

Domain ID domain_id	d2qrwj_
Class class	a — All alpha proteins
Fold Fold fold	a.1 — Globin-like
Superfamily Superfamily superfamily	a.1.1 — Globin-like
Family Family family	a.1.1.1 — Truncated hemoglobin

Domain ID domain_id	d2qrwk_
Class class	a — All alpha proteins
Fold Fold fold	a.1 — Globin-like
Superfamily Superfamily superfamily	a.1.1 — Globin-like
Family Family family	a.1.1.1 — Truncated hemoglobin

Domain ID domain_id	d2qrwl_
Class class	a — All alpha proteins
Fold Fold fold	a.1 — Globin-like
Superfamily Superfamily superfamily	a.1.1 — Globin-like
Family Family family	a.1.1.1 — Truncated hemoglobin

CATH v4.4 (12 domains)

Domain ID domain_id	2qrwA00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	490 — Globin-like
Homologous superfamily homologous superfamily	10 — Globins

Domain ID domain_id	2qrwB00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	490 — Globin-like
Homologous superfamily homologous superfamily	10 — Globins

Domain ID domain_id	2qrwC00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	490 — Globin-like
Homologous superfamily homologous superfamily	10 — Globins

Domain ID domain_id	2qrwD00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	490 — Globin-like
Homologous superfamily homologous superfamily	10 — Globins

Domain ID domain_id	2qrwE00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	490 — Globin-like
Homologous superfamily homologous superfamily	10 — Globins

Domain ID domain_id	2qrwF00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	490 — Globin-like
Homologous superfamily homologous superfamily	10 — Globins

Domain ID domain_id	2qrwG00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	490 — Globin-like
Homologous superfamily homologous superfamily	10 — Globins

Domain ID domain_id	2qrwH00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	490 — Globin-like
Homologous superfamily homologous superfamily	10 — Globins

Domain ID domain_id	2qrwI00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	490 — Globin-like
Homologous superfamily homologous superfamily	10 — Globins

Domain ID domain_id	2qrwJ00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	490 — Globin-like
Homologous superfamily homologous superfamily	10 — Globins

Domain ID domain_id	2qrwK00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	490 — Globin-like
Homologous superfamily homologous superfamily	10 — Globins

Domain ID domain_id	2qrwL00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	490 — Globin-like
Homologous superfamily homologous superfamily	10 — Globins

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Unit-cell length a length_a	187.312 Å
Unit-cell length b length_b	187.312 Å
Unit-cell length c length_c	274.467 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	192

Space group space_group	I 41 2 2
Space-group number int_tables_number	98
Crystal system crystal_system	—

Resolution resolution	1.930 Å
Low-resolution limit resolution_low	40.000 Å
R factor r_factor	0.1775
R_work r_work	0.1756
R_free r_free	0.2147

Crystal structure of Mycobacterium tuberculosis trHbO WG8F mutant

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

Hemoglobin-like protein HbO

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

2qrw__assembly_1__model_1

2qrw__assembly_1__model_1 | I(q)

2qrw__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 (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 Mycobacterium tuberculosis trHbO WG8F mutant

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

Hemoglobin-like protein HbO

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

2qrw__assembly_1__model_1

2qrw__assembly_1__model_1 | I(q)

2qrw__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 (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)