SAXSdb — 3log

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

Isochorismate synthase/isochorismate-pyruvate lyase mbtI

Mycobacterium tuberculosis

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein monomer	Monomer	Protein 1	SUCCINIC ACID × 2 GLYCEROL × 1 water × 1	Consistent with protein count
2	Protein monomer	Monomer	Protein 1	SUCCINIC ACID × 1 GLYCEROL × 1 SODIUM ION × 1 CARBONATE ION × 1 water × 1	Consistent with protein count
3	Protein monomer	Monomer	Protein 1	SUCCINIC ACID × 1 GLYCEROL × 2 water × 1	Consistent with protein count
4	Protein monomer	Monomer	Protein 1	SUCCINIC ACID × 1 GLYCEROL × 1 water × 1	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	MBTI_MYCTU
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 3–451； UniProt 1–449 Author chain B； PDBConstruct 3–451； UniProt 1–449 Author chain C； PDBConstruct 3–451； UniProt 1–449 Author chain D； PDBConstruct 3–451； UniProt 1–449

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	3log
Deposition date deposition_date	2010-02-03
Structure title title	Crystal structure of MbtI from Mycobacterium tuberculosis
Keywords keywords	;chorismate, salicylate, anthranilate, isochorismate, isochorismate synthase, isochorismate lyase, Ion transport, Isomerase, Lyase, Metal-binding, Multifunctional enzyme, Transport ;; ISOMERASE
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.

3log__assembly_3__model_1

Assembly 3 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

3log__assembly_3__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

3log__assembly_3__model_1 | P(r) · Pending

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

Rg（Guinier）	22.24 Å
Rg (electron density)	21.05 Å
Total Rg	21.95 Å
Atom count	3339
Residues	435
Excluded volume	59128 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`3log__assembly_1__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`3log__assembly_2__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
3	1	`3log__assembly_3__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
4	1	`3log__assembly_4__model_1`	monomeric （1）	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	Isochorismate synthase/isochorismate-pyruvate lyase mbtI
Molecular weight formula_weight	48827.2 kDa
EC 编号 ec_number	5.4.4.2, 4.1.3.-
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	15313

GSMSELSVATGAVSTASSSIPMPAGVNPADLAAELAAVVTESVDEDYLLYECDGQWVLAAGVQAMVELDSDELRVIRDGVTRRQQWSGRPGAALGEAVDRLLLETDQAFGWVAFEFGVHRYGLQQRLAPHTPLARVFSPRTRIMVSEKEIRLFDAGIRHREAIDRLLATGVREVPQSRSVDVSDDPSGFRRRVAVAVDEIAAGRYHKVILSRCVEVPFAIDFPLTYRLGRRHNTPVRSFLLQLGGIRALGYSPELVTAVRADGVVITEPLAGTRALGRGPAIDRLARDDLESNSKEIVEHAISVRSSLEEITDIAEPGSAAVIDFMTVRERGSVQHLGSTIRARLDPSSDRMAALEALFPAVTASGIPKAAGVEAIFRLDECPRGLYSGAVVMLSADGGLDAALTLRAAYQVGGRTWLRAGAGIIEESEPEREFEETCEKLSTLTPYLVAR

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	SUCCINIC ACID
Molecular weight formula_weight	118.1 kDa
Source method src_method	syn
Copy count entity_count	5

Entity 3 Entity 3 non-polymer

Description description	GLYCEROL
Molecular weight formula_weight	92.1 kDa
Source method src_method	syn
Copy count entity_count	5

Entity 4 Entity 4 non-polymer

Description description	SODIUM ION
Molecular weight formula_weight	23.0 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 5 Entity 5 non-polymer

Description description	CARBONATE ION
Molecular weight formula_weight	60.0 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 6 Entity 6 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	1624

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6. Fold Classification (SCOP + CATH) 9 domains

SCOP 2.08 (5 domains)

Domain ID domain_id	d3loga_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.161 — ADC synthase
Superfamily Superfamily superfamily	d.161.1 — ADC synthase
Family Family family	d.161.1.1 — ADC synthase

Domain ID domain_id	d3logb1
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.161 — ADC synthase
Superfamily Superfamily superfamily	d.161.1 — ADC synthase
Family Family family	d.161.1.1 — ADC synthase

Domain ID domain_id	d3logb2
Class class	l — Artifacts
Fold Fold fold	l.1 — Tags
Superfamily Superfamily superfamily	l.1.1 — Tags
Family Family family	l.1.1.1 — Tags

Domain ID domain_id	d3logc_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.161 — ADC synthase
Superfamily Superfamily superfamily	d.161.1 — ADC synthase
Family Family family	d.161.1.1 — ADC synthase

Domain ID domain_id	d3logd_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.161 — ADC synthase
Superfamily Superfamily superfamily	d.161.1 — ADC synthase
Family Family family	d.161.1.1 — ADC synthase

CATH v4.4 (4 domains)

Domain ID domain_id	3logA00
Class class	3 — Alpha Beta
Architecture architecture	60 — 4-Layer Sandwich
Topology topology	120 — Anthranilate synthase
Homologous superfamily homologous superfamily	10 — Anthranilate synthase

Domain ID domain_id	3logB00
Class class	3 — Alpha Beta
Architecture architecture	60 — 4-Layer Sandwich
Topology topology	120 — Anthranilate synthase
Homologous superfamily homologous superfamily	10 — Anthranilate synthase

Domain ID domain_id	3logC00
Class class	3 — Alpha Beta
Architecture architecture	60 — 4-Layer Sandwich
Topology topology	120 — Anthranilate synthase
Homologous superfamily homologous superfamily	10 — Anthranilate synthase

Domain ID domain_id	3logD00
Class class	3 — Alpha Beta
Architecture architecture	60 — 4-Layer Sandwich
Topology topology	120 — Anthranilate synthase
Homologous superfamily homologous superfamily	10 — Anthranilate synthase

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Unit-cell length a length_a	87.870 Å
Unit-cell length b length_b	115.703 Å
Unit-cell length c length_c	93.893 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	91.60 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	8

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

Resolution resolution	1.730 Å
Low-resolution limit resolution_low	50.000 Å
R factor r_factor	0.1830
R_work r_work	0.1810
R_free r_free	0.2250

Crystal structure of MbtI from Mycobacterium tuberculosis

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

Isochorismate synthase/isochorismate-pyruvate lyase mbtI

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

3log__assembly_3__model_1

3log__assembly_3__model_1 | I(q)

3log__assembly_3__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

Source Source

Entity 2 Entity 2 non-polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 water

6. Fold Classification (SCOP + CATH) 9 domains

SCOP 2.08 (5 domains)

CATH v4.4 (4 domains)

7. Citations (1)

Crystal structure of MbtI from Mycobacterium tuberculosis

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

Isochorismate synthase/isochorismate-pyruvate lyase mbtI

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

3log__assembly_3__model_1

3log__assembly_3__model_1 | I(q)

3log__assembly_3__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

Source Source

Entity 2 Entity 2 non-polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 water

6. Fold Classification (SCOP + CATH) 9 domains

SCOP 2.08 (5 domains)

CATH v4.4 (4 domains)

7. Citations (1)