SAXSdb — 3ne1

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

Holo-[acyl-carrier-protein] synthase

Mycobacterium tuberculosis

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein homooligomer	Homooligomer	Protein 3	SULFATE ION × 4 water × 3	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	ACPS_MYCTU
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–130； UniProt 1–130 Author chain B； PDBConstruct 1–130； UniProt 1–130 Author chain C； PDBConstruct 1–130； UniProt 1–130

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	3ne1
Deposition date deposition_date	2010-06-08
Structure title title	Mycobacterium tuberculosis Acyl Carrier Protein Synthase in complex with sulfate ion
Keywords keywords	;acyl carrier protein synthase, acyl carrier protein, fatty acid synthase, ACPS, Mycobacterium Tuberculosis Structural Proteomics Project, Transferase ;; TRANSFERASE
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.

3ne1__assembly_1__model_1

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

Download this curve (.dat)

3ne1__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

3ne1__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	22.03 Å
Rg (electron density)	20.74 Å
Total Rg	21.63 Å
Atom count	2930
Residues	387
Excluded volume	51172 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`3ne1__assembly_1__model_1`	trimeric （3）	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 (3)

Entity 1 Entity 1 polymer

Description description	Holo-[acyl-carrier-protein] synthase
Molecular weight formula_weight	14019.8 kDa
EC 编号 ec_number	2.7.8.7
Source method src_method	man
Copy count entity_count	3

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C
Atom count atom_count	2986

MGIVGVGIDLVSIPDFAEQVDQPGTVFAETFTPGERRDASDKSSSAARHLAARWAAKEAVIKAWSGSRFAQRPVLPEDIHRDIEVVTDMWGRPRVRLTGAIAEYLADVTIHVSLTHEGDTAAAVAILEAP

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	SULFATE ION
Molecular weight formula_weight	96.1 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	56

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6. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (3 domains)

Domain ID domain_id	d3ne1a_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.150 — 4'-phosphopantetheinyl transferase
Superfamily Superfamily superfamily	d.150.1 — 4'-phosphopantetheinyl transferase
Family Family family	d.150.1.0 — automated matches

Domain ID domain_id	d3ne1b_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.150 — 4'-phosphopantetheinyl transferase
Superfamily Superfamily superfamily	d.150.1 — 4'-phosphopantetheinyl transferase
Family Family family	d.150.1.0 — automated matches

Domain ID domain_id	d3ne1c_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.150 — 4'-phosphopantetheinyl transferase
Superfamily Superfamily superfamily	d.150.1 — 4'-phosphopantetheinyl transferase
Family Family family	d.150.1.0 — automated matches

CATH v4.4 (3 domains)

Domain ID domain_id	3ne1A00
Class class	3 — Alpha Beta
Architecture architecture	90 — Alpha-Beta Complex
Topology topology	470 — Ribosomal Protein L22; Chain A
Homologous superfamily homologous superfamily	20 — 4'-phosphopantetheinyl transferase domain

Domain ID domain_id	3ne1B00
Class class	3 — Alpha Beta
Architecture architecture	90 — Alpha-Beta Complex
Topology topology	470 — Ribosomal Protein L22; Chain A
Homologous superfamily homologous superfamily	20 — 4'-phosphopantetheinyl transferase domain

Domain ID domain_id	3ne1C00
Class class	3 — Alpha Beta
Architecture architecture	90 — Alpha-Beta Complex
Topology topology	470 — Ribosomal Protein L22; Chain A
Homologous superfamily homologous superfamily	20 — 4'-phosphopantetheinyl transferase domain

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Unit-cell length a length_a	83.123 Å
Unit-cell length b length_b	104.872 Å
Unit-cell length c length_c	105.196 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	24

Space group space_group	I 2 2 2
Space-group number int_tables_number	23
Crystal system crystal_system	—

Resolution resolution	2.510 Å
Low-resolution limit resolution_low	20.070 Å
R factor r_factor	0.2311
R_work r_work	0.2276
R_free r_free	0.3012

Mycobacterium tuberculosis Acyl Carrier Protein Synthase in complex with sulfate ion

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

Holo-[acyl-carrier-protein] synthase

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

3ne1__assembly_1__model_1

3ne1__assembly_1__model_1 | I(q)

3ne1__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 (3)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 non-polymer

Entity 3 Entity 3 water

6. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (3 domains)

CATH v4.4 (3 domains)

7. Citations (1)

Mycobacterium tuberculosis Acyl Carrier Protein Synthase in complex with sulfate ion

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

Holo-[acyl-carrier-protein] synthase

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

3ne1__assembly_1__model_1

3ne1__assembly_1__model_1 | I(q)

3ne1__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 (3)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 non-polymer

Entity 3 Entity 3 water

6. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (3 domains)

CATH v4.4 (3 domains)

7. Citations (1)