9g3r

LecA from Pseudomonas aeruginosa in complex with a synthetic thiogalactoside

Method: X-RAY DIFFRACTION

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

PA-I galactophilic lectin

Pseudomonas aeruginosa

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Other combination	Homooligomer	Protein 4 其他Polymer 3	1-thio-beta-D-galactopyranose-(1-1)-alpha-L-fucopyranose × 3 CALCIUM ION × 4 CHLORIDE ION × 1 1-thio-beta-D-galactopyranose × 1 water × 4	Consistent with protein count
2	Other combination	Homooligomer	Protein 4 其他Polymer 2	1-thio-beta-D-galactopyranose-(1-1)-alpha-L-fucopyranose × 2 CALCIUM ION × 4 1-thio-beta-D-galactopyranose × 2 DI(HYDROXYETHYL)ETHER × 2 water × 4	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	PA1L_PSEAE
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–121； UniProt 2–122 Author chain B； PDBConstruct 1–121； UniProt 2–122 Author chain C； PDBConstruct 1–121； UniProt 2–122 Author chain D； PDBConstruct 1–121； UniProt 2–122 Author chain E； PDBConstruct 1–121； UniProt 2–122 Author chain F； PDBConstruct 1–121； UniProt 2–122 Author chain G； PDBConstruct 1–121； UniProt 2–122 Author chain H； PDBConstruct 1–121； UniProt 2–122

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	9g3r
Deposition date deposition_date	2024-07-12
Structure title title	LecA from Pseudomonas aeruginosa in complex with a synthetic thiogalactoside
Keywords keywords	lectin, cell adhesion, LecA, PA-IL, galactose-binding, SUGAR BINDING PROTEIN; SUGAR BINDING 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.

9g3r__assembly_2__model_1

Assembly 2 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

9g3r__assembly_2__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

9g3r__assembly_2__model_1 | P(r) · Pending

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

Rg（Guinier）	28.68 Å
Rg (electron density)	27.76 Å
Total Rg	28.40 Å
Atom count	3662
Residues	483
Excluded volume	64580 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`9g3r__assembly_1__model_1`	tetrameric （4）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`9g3r__assembly_2__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 (7)

Entity 1 Entity 1 polymer

Description description	PA-I galactophilic lectin
Molecular weight formula_weight	12770.1 kDa
Source method src_method	man
Copy count entity_count	8

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C,D,E,F,G,H
Atom count atom_count	7758

AWKGEVLANNEAGQVTSIIYNPGDVITIVAAGWASYGPTQKWGPQGDREHPDQGLICHDAFCGALVMKIGNSGTIPVNTGLFRWVAPNNVQGAITLIYNDVPGTYGNNSGSFSVNIGKDQS

Source Source

Source organism organism	Pseudomonas aeruginosa
NCBI taxonomy ID ncbi_taxonomy_id	287
Host organism host_organism	Escherichia coli

Entity 2 Entity 2 branched

Description description	1-thio-beta-D-galactopyranose-(1-1)-alpha-L-fucopyranose
Molecular weight formula_weight	342.4 kDa
Source method src_method	syn
Copy count entity_count	5

Entity 3 Entity 3 non-polymer

Description description	CALCIUM ION
Molecular weight formula_weight	40.1 kDa
Source method src_method	syn
Copy count entity_count	8

Entity 4 Entity 4 non-polymer

Description description	CHLORIDE ION
Molecular weight formula_weight	35.5 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 5 Entity 5 non-polymer

Description description	1-thio-beta-D-galactopyranose
Molecular weight formula_weight	196.2 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 6 Entity 6 non-polymer

Description description	DI(HYDROXYETHYL)ETHER
Molecular weight formula_weight	106.1 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 7 Entity 7 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	353

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Unit-cell length a length_a	50.900 Å
Unit-cell length b length_b	99.823 Å
Unit-cell length c length_c	86.838 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	16

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

Resolution resolution	1.700 Å
Low-resolution limit resolution_low	45.386 Å
R factor r_factor	—
R_work r_work	0.1960
R_free r_free	0.2269

LecA from Pseudomonas aeruginosa in complex with a synthetic thiogalactoside

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

PA-I galactophilic lectin

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

9g3r__assembly_2__model_1

9g3r__assembly_2__model_1 | I(q)

9g3r__assembly_2__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 (7)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 branched

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 non-polymer

Entity 7 Entity 7 water

7. Citations (1)

LecA from Pseudomonas aeruginosa in complex with a synthetic thiogalactoside

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

PA-I galactophilic lectin

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

9g3r__assembly_2__model_1

9g3r__assembly_2__model_1 | I(q)

9g3r__assembly_2__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 (7)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 branched

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 non-polymer

Entity 7 Entity 7 water

7. Citations (1)