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1b44

CRYSTAL STRUCTURE OF THE B SUBUNIT OF HEAT-LABILE ENTEROTOXIN FROM E. COLI CARRYING A PEPTIDE WITH ANTI-HSV ACTIVITY

Method: X-RAY DIFFRACTION Dmax: 71.8 Å Quality: EXCELLENT
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1. Protein Identity and Related Structures Protein Identity & Related Structures

PROTEIN (B-POL SUBUNIT OF HEAT-LABILE ENTEROTOXIN)

Escherichia coli

UniProt P13811

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein homooligomer Homooligomer Protein × 5 PDB declaration: pentameric（5） Consistent with protein copy count Chain D； UniProt 22–124 Chain E； UniProt 22–124 Chain F； UniProt 22–124 Chain G； UniProt 22–124 Chain H； UniProt 22–124 Fragment：SUBUNIT B No other associated polymer X-RAY DIFFRACTION X-ray crystallization conditions：pH 6；pH 6 Resolution 3.30 Å R-free 0.255

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 1B44 Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1LTR CRYSTAL STRUCTURE OF THE B SUBUNIT OF HUMAN HEAT-LABILE ENTEROTOXIN FROM E. COLI CARRYING A PEPTIDE WITH ANTI-HSV ACTIVITY Deposited 1998-07-31 Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain D 22–123（102 aa） Fragment：SUBUNIT B-R2
Chain E 22–123（102 aa） Fragment：SUBUNIT B-R2
Chain F 22–123（102 aa） Fragment：SUBUNIT B-R2
Chain G 22–123（102 aa） Fragment：SUBUNIT B-R2
Chain H 22–123（102 aa） Fragment：SUBUNIT B-R2
Mutation：N103K Mutation：N103K Mutation：N103K Mutation：N103K Mutation：N103K SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6
Resolution 3.04 Å R-free 0.217
1LTR CRYSTAL STRUCTURE OF THE B SUBUNIT OF HUMAN HEAT-LABILE ENTEROTOXIN FROM E. COLI CARRYING A PEPTIDE WITH ANTI-HSV ACTIVITY Deposited 1998-07-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 10 PDB declaration: decameric
Chain D 22–123（102 aa） Fragment：SUBUNIT B-R2
Chain E 22–123（102 aa） Fragment：SUBUNIT B-R2
Chain F 22–123（102 aa） Fragment：SUBUNIT B-R2
Chain G 22–123（102 aa） Fragment：SUBUNIT B-R2
Chain H 22–123（102 aa） Fragment：SUBUNIT B-R2
Mutation：N103K Mutation：N103K Mutation：N103K Mutation：N103K Mutation：N103K SO4 SULFATE ION × 12 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6
Resolution 3.04 Å R-free 0.217
2O2L Crystal structure of human heat-labile enterotoxin in complex with a blood group A antigen analog Deposited 2006-11-30 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Homooligomer；Protein × 5 PDB declaration: pentameric
Chain D 22–124（103 aa）
Chain E 22–124（103 aa）
Chain F 22–124（103 aa）
Chain G 22–124（103 aa）
Chain H 22–124（103 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.53 Å R-free 0.237
2O2L Crystal structure of human heat-labile enterotoxin in complex with a blood group A antigen analog Deposited 2006-11-30 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Homooligomer；Protein × 5 PDB declaration: pentameric
Chain I 22–124（103 aa）
Chain J 22–124（103 aa）
Chain K 22–124（103 aa）
Chain L 22–124（103 aa）
Chain M 22–124（103 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.53 Å R-free 0.237

2 other PDB entries and 4 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name ELBH_ECOLI
Isoform —
PDB entities 1
Chains and sequence ranges Author chain D； PDBConstruct 1–103； UniProt 22–124 Author chain E； PDBConstruct 1–103； UniProt 22–124 Author chain F； PDBConstruct 1–103； UniProt 22–124 Author chain G； PDBConstruct 1–103； UniProt 22–124 Author chain H； PDBConstruct 1–103； UniProt 22–124

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.

SAXS scattering curve SAXS Profile

SAXS profile for 1b44

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1b44
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1b44
Deposition date deposition_date1999-01-04
Structure title titleCRYSTAL STRUCTURE OF THE B SUBUNIT OF HEAT-LABILE ENTEROTOXIN FROM E. COLI CARRYING A PEPTIDE WITH ANTI-HSV ACTIVITY
Keywords keywordsB SUBUNIT, HEAT-LABILE ENTEROTOXIN ANTI-HSV, TOXIN; TOXIN
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier24.51 Å
Radius of gyration Rg (electron density) rg_electron23.19 Å
Forward intensity I(0) i058249600.00
Molecular weight molecular_weight59856.0 kDa
Excluded volume excluded_volume75163 ų
Envelope volume envelope_volume87913 ų
Hydration-shell volume shell_volume30374 ų
Envelope diameter envelope_diameter69.6 Å
Shell Rg shell_rg31.03 Å
Envelope Rg envelope_rg23.03 Å
Shape Rg shape_rg23.22 Å
Total Rg total_rg23.93 Å
Total atoms total_atoms4186
Residues n_residues531
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax71.8 Å
Rg (real space) rg_real24.32 Å
Rg uncertainty (real space) rg_real_error0.25 Å
I(0) (real space) i0_real5.8250e+07
I(0) uncertainty (real space) i0_real_error6.5580e+05
Rg (reciprocal space) rg_reciprocal24.37 Å
I(0) (reciprocal space) i0_reciprocal58250000.0000
Solution quality estimate total_estimate0.9143
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary31.9 Å
Skewness Skewness skewness0.072
Kurtosis Kurtosis kurtosis-0.623
Angular range angular_range— – 0.3250 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha31930000.0000
Real-space data points n_real_points64
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.973; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.976
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (1)

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7. Fold Classification (SCOP + CATH) 10 domains

SCOP 2.08 (5 domains)

Domain ID domain_idd1b44d_
Class classb — All beta proteins
Fold Fold foldb.40 — OB-fold
Superfamily Superfamily superfamilyb.40.2 — Bacterial enterotoxins
Family Family familyb.40.2.1 — Bacterial AB5 toxins, B-subunits
Domain ID domain_idd1b44e_
Class classb — All beta proteins
Fold Fold foldb.40 — OB-fold
Superfamily Superfamily superfamilyb.40.2 — Bacterial enterotoxins
Family Family familyb.40.2.1 — Bacterial AB5 toxins, B-subunits
Domain ID domain_idd1b44f_
Class classb — All beta proteins
Fold Fold foldb.40 — OB-fold
Superfamily Superfamily superfamilyb.40.2 — Bacterial enterotoxins
Family Family familyb.40.2.1 — Bacterial AB5 toxins, B-subunits
Domain ID domain_idd1b44g_
Class classb — All beta proteins
Fold Fold foldb.40 — OB-fold
Superfamily Superfamily superfamilyb.40.2 — Bacterial enterotoxins
Family Family familyb.40.2.1 — Bacterial AB5 toxins, B-subunits
Domain ID domain_idd1b44h_
Class classb — All beta proteins
Fold Fold foldb.40 — OB-fold
Superfamily Superfamily superfamilyb.40.2 — Bacterial enterotoxins
Family Family familyb.40.2.1 — Bacterial AB5 toxins, B-subunits

CATH v4.4 (5 domains)

Domain ID domain_id1b44D00
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily110 —
Domain ID domain_id1b44E00
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily110 —
Domain ID domain_id1b44F00
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily110 —
Domain ID domain_id1b44G00
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily110 —
Domain ID domain_id1b44H00
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily110 —
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8. Citations (3)

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9. Files and Curves (10)