SAXSdb — 1djr

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

HEAT-LABILE ENTEROTOXIN

Escherichia coli

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：B PENTAMER	GLA alpha-D-galactopyranose × 5 GOL GLYCEROL × 3 BEZ BENZOIC ACID × 3	X-RAY DIFFRACTION X-ray crystallization conditions：LIQUID DIFFUSION；pH 7.5；298 K；PEG 6000, NaCl, Tris-HCl, pH 7.5, LIQUID DIFFUSION, temperature 298K	Resolution 1.30 Å R-free 0.189

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 1DJR	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1EEF HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH BOUND LIGAND PEPG Deposited 2000-01-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer 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	GLA alpha-D-galactopyranose × 5 I06 2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-1,4-DIONE × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；pH 7.5	Resolution 1.80 Å R-free 0.267
1EEF HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH BOUND LIGAND PEPG Deposited 2000-01-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain L 22–124（103 aa） Chain M 22–124（103 aa） Chain N 22–124（103 aa） Chain O 22–124（103 aa） Chain P 22–124（103 aa）	Not recorded	GLA alpha-D-galactopyranose × 5 I06 2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-1,4-DIONE × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；pH 7.5	Resolution 1.80 Å R-free 0.267
1EFI HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH PARA-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDE Deposited 2000-02-08	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer 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	GAT 4-aminophenyl alpha-D-galactopyranoside × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；pH 5.6, VAPOR DIFFUSION, SITTING DROP	Resolution 1.60 Å R-free 0.231
1FD7 HEAT-LABILE ENTEROTOXIN B-PENTAMER WITH BOUND LIGAND BMSC001 Deposited 2000-07-19	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer 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	AI1 N-BENZYL-3-(ALPHA-D-GALACTOS-1-YL)-BENZAMIDE × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；PEG 5000, NaCl, Tris/HCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 1.80 Å R-free 0.234
1FD7 HEAT-LABILE ENTEROTOXIN B-PENTAMER WITH BOUND LIGAND BMSC001 Deposited 2000-07-19	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain L 22–124（103 aa） Chain M 22–124（103 aa） Chain N 22–124（103 aa） Chain O 22–124（103 aa） Chain P 22–124（103 aa）	Not recorded	AI1 N-BENZYL-3-(ALPHA-D-GALACTOS-1-YL)-BENZAMIDE × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；PEG 5000, NaCl, Tris/HCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 1.80 Å R-free 0.234
1HTL MUTATION OF A BURIED RESIDUE CAUSES LACK OF ACTIVITY BUT NO CONFORMATIONAL CHANGE: CRYSTAL STRUCTURE OF E. COLI HEAT-LABILE ENTEROTOXIN MUTANT VAL 97--> LYS Deposited 1995-02-15	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 7 PDB declaration: heptameric	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 2.50 Å
1JQY HEAT-LABILE ENTEROTOXIN B-PENTAMER WITH LIGAND BMSC-0010 Deposited 2001-08-09	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer 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	A32 (3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；PEG 3000, NaCl, Tris HCl, pH 6.5, VAPOR DIFFUSION, SITTING DROP	Resolution 2.14 Å R-free 0.284
1JQY HEAT-LABILE ENTEROTOXIN B-PENTAMER WITH LIGAND BMSC-0010 Deposited 2001-08-09	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain L 22–124（103 aa） Chain M 22–124（103 aa） Chain N 22–124（103 aa） Chain O 22–124（103 aa） Chain P 22–124（103 aa）	Not recorded	A32 (3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；PEG 3000, NaCl, Tris HCl, pH 6.5, VAPOR DIFFUSION, SITTING DROP	Resolution 2.14 Å R-free 0.284
1JQY HEAT-LABILE ENTEROTOXIN B-PENTAMER WITH LIGAND BMSC-0010 Deposited 2001-08-09	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain V 22–124（103 aa） Chain W 22–124（103 aa） Chain X 22–124（103 aa） Chain Y 22–124（103 aa） Chain Z 22–124（103 aa）	Not recorded	A32 (3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；PEG 3000, NaCl, Tris HCl, pH 6.5, VAPOR DIFFUSION, SITTING DROP	Resolution 2.14 Å R-free 0.284
1LT3 HEAT-LABILE ENTEROTOXIN DOUBLE MUTANT N40C/G166C Deposited 1997-04-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: hexameric	Chain D 22–124（103 aa） Fragment：HOLOTOXIN Chain E 22–124（103 aa） Fragment：HOLOTOXIN Chain F 22–124（103 aa） Fragment：HOLOTOXIN Chain G 22–124（103 aa） Fragment：HOLOTOXIN Chain H 22–124（103 aa） Fragment：HOLOTOXIN	Mutation：N40C, G166C Mutation：N40C, G166C Mutation：N40C, G166C Mutation：N40C, G166C Mutation：N40C, G166C	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions 3 layer capillary method；pH 7.5；PROTEIN WAS CRYSTALLIZED FROM 5% PEG 6000, 100 MM NACL, 1 MM EDTA, 75 MM LACTOSE, 100 MM TRIS PH 7.5 USING THE 3 LAYER CAPPILARY METHOD, 3 layer capillary method	Resolution 2.00 Å R-free 0.261
1LT4 HEAT-LABILE ENTEROTOXIN MUTANT S63K Deposited 1997-04-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: hexameric	Chain D 22–124（103 aa） Fragment：HOLOTOXIN Chain E 22–124（103 aa） Fragment：HOLOTOXIN Chain F 22–124（103 aa） Fragment：HOLOTOXIN Chain G 22–124（103 aa） Fragment：HOLOTOXIN Chain H 22–124（103 aa） Fragment：HOLOTOXIN	Mutation：CHAIN A, S63K Mutation：CHAIN A, S63K Mutation：CHAIN A, S63K Mutation：CHAIN A, S63K Mutation：CHAIN A, S63K	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions 3 layer capillary method；pH 7.5；PROTEIN WAS CRYSTALLIZED FROM 5% PEG 6000, 100 MM NACL, 1 MM EDTA, 75 MM LACTOSE, 100 MM TRIS PH 7.5 USING THE 3 LAYER CAPPILARY METHOD, 3 layer capillary method	Resolution 2.00 Å R-free 0.255
1LT5 HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH THIODIGALACTOSIDE Deposited 1997-09-30	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 5 PDB declaration: pentameric	Chain D 22–124（103 aa） Fragment：B-PENTAMER Chain E 22–124（103 aa） Fragment：B-PENTAMER Chain F 22–124（103 aa） Fragment：B-PENTAMER Chain G 22–124（103 aa） Fragment：B-PENTAMER Chain H 22–124（103 aa） Fragment：B-PENTAMER	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；pH 7.5	Resolution 1.70 Å
1LT6 HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH METANITROPHENYLGALACTOSIDE Deposited 1997-10-01	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain D 22–124（103 aa） Fragment：B-PENTAMER Chain E 22–124（103 aa） Fragment：B-PENTAMER Chain F 22–124（103 aa） Fragment：B-PENTAMER Chain G 22–124（103 aa） Fragment：B-PENTAMER Chain H 22–124（103 aa） Fragment：B-PENTAMER	Not recorded	GAA 3-nitrophenyl alpha-D-galactopyranoside × 5	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；pH 7.5	Resolution 2.20 Å R-free 0.273
1LT6 HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH METANITROPHENYLGALACTOSIDE Deposited 1997-10-01	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain L 22–124（103 aa） Fragment：B-PENTAMER Chain M 22–124（103 aa） Fragment：B-PENTAMER Chain N 22–124（103 aa） Fragment：B-PENTAMER Chain O 22–124（103 aa） Fragment：B-PENTAMER Chain P 22–124（103 aa） Fragment：B-PENTAMER	Not recorded	GAA 3-nitrophenyl alpha-D-galactopyranoside × 5	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；pH 7.5	Resolution 2.20 Å R-free 0.273
1LTA 2.2 ANGSTROMS CRYSTAL STRUCTURE OF E. COLI HEAT-LABILE ENTEROTOXIN (LT) WITH BOUND GALACTOSE Deposited 1993-09-15	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 7 PDB declaration: heptameric	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	GAL beta-D-galactopyranose × 5	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.20 Å
1LTB 2.6 ANGSTROMS CRYSTAL STRUCTURE OF PARTIALLY-ACTIVATED E. COLI HEAT-LABILE ENTEROTOXIN (LT) Deposited 1993-09-15	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 7 PDB declaration: heptameric	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 2.60 Å
1LTG THE ARG7LYS MUTANT OF HEAT-LABILE ENTEROTOXIN EXHIBITS GREAT FLEXIBILITY OF ACTIVE SITE LOOP 47-56 OF THE A SUBUNIT Deposited 1995-06-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 7 PDB declaration: heptameric	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）	Mutation：ARG A 7 LYS Mutation：ARG A 7 LYS Mutation：ARG A 7 LYS Mutation：ARG A 7 LYS Mutation：ARG A 7 LYS	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.40 Å
1LTI HEAT-LABILE ENTEROTOXIN (LT-I) COMPLEX WITH T-ANTIGEN Deposited 1996-05-09	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 7 PDB declaration: heptameric	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	GAL beta-D-galactopyranose × 3	X-RAY DIFFRACTION X-ray crystallization conditions liquid - liquid diffusion；pH 7.5；LIQUID-LIQUID DIFFUSION CAPILLARY CONTAINS: 0.1M TRIS PH 7.5, 0.1M NACL, 0.001M EDTA, 0.02% SODIUM AZIDE, 4.5 MG/ML LT-I, 0.025M LACTOSE AND 5% PEG 6000. CRYSTAL WAS SOAKED FOR 1 DAY IN LACTOSE FREE MOTHER LIQUOR CONTAINING 0.1M D-GAL-BETA1,3GALNAC BEFORE DATA COLLECTION., liquid - liquid diffusion	Resolution 2.13 Å R-free 0.274
1LTS REFINED STRUCTURE OF E. COLI HEAT LABILE ENTEROTOXIN, A CLOSE RELATIVE OF CHOLERA TOXIN Deposited 1992-07-15	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 7 PDB declaration: heptameric	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 1.95 Å
1LTT LACTOSE BINDING TO HEAT-LABILE ENTEROTOXIN REVEALED BY X-RAY CRYSTALLOGRAPHY Deposited 1992-07-15	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 7 PDB declaration: heptameric	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 2.30 Å
1PZI Heat-Labile Enterotoxin B-Pentamer Complexed With Nitrophenyl Galactoside 2a Deposited 2003-07-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer 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	1DM N-(2-MORPHOLIN-4-YL-1-MORPHOLIN-4-YLMETHYL-ETHYL)-3-NITRO-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-BENZAMIDE × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.8；298 K；32% PEG 5000, 100 mM Tris-HCl pH 7.8, 50 mM NaCl, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K	Resolution 1.99 Å R-free 0.221
1TET CRYSTAL STRUCTURE OF AN ANTICHOLERA TOXIN PEPTIDE COMPLEX AT 2.3 ANGSTROMS Deposited 1993-06-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain P 71–85（15 aa）	Not recorded	CIT CITRIC ACID × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.30 Å
2XRS Crystal structures exploring the origins of the broader specificity of escherichia coli heat-labile enterotoxin compared to cholera toxin Deposited 2010-09-20	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Homooligomer；Protein × 5 PDB declaration: pentameric	Chain L 22–124（103 aa） Chain M 22–124（103 aa） Chain N 22–124（103 aa） Chain O 22–124（103 aa） Chain P 22–124（103 aa）	Not recorded	GAL beta-D-galactopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；20% PEG 3350, 200 MM SODIUM CITRATE, 20% GLYCEROL, 100MM BIS-TRIS PROPANE (PH 6.5)	Resolution 1.81 Å R-free 0.219
2XRS Crystal structures exploring the origins of the broader specificity of escherichia coli heat-labile enterotoxin compared to cholera toxin Deposited 2010-09-20	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 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 X-ray crystallization conditions pH 6.5；20% PEG 3350, 200 MM SODIUM CITRATE, 20% GLYCEROL, 100MM BIS-TRIS PROPANE (PH 6.5)	Resolution 1.81 Å R-free 0.219
5LZI Porcine heat-labile enterotoxin R13H in complex with inhibitor MM146 Deposited 2016-09-29	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 22–124（103 aa） Chain B 22–124（103 aa） Chain C 22–124（103 aa） Chain D 22–124（103 aa） Chain E 22–124（103 aa）	Not recorded	GOL GLYCEROL × 5 7BQ (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{R})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid × 1 PEG DI(HYDROXYETHYL)ETHER × 1 7DB (2~{R},4~{S},5~{R},6~{R})-5-acetamido-2-[4-[(2~{S})-3-[2-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]ethylamino]-3-oxidanylidene-2-(2-phenylethanoylamino)propyl]-1,2,3-triazol-1-yl]-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid × 4 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；Sodium cacodylate, PEG	Resolution 1.60 Å R-free 0.176
6IAL Porcine E.coli heat-labile enterotoxin B-pentamer in complex with Lacto-N-neohexaose Deposited 2018-11-27	Different construct Different oligomeric state Different ligand/ion 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	GOL GLYCEROL × 2 NA SODIUM ION × 14	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；0.1 M sodium acetate, 20 % w/v PEG 6000, 0.2 M lithium chloride	Resolution 1.45 Å R-free 0.201
6IAL Porcine E.coli heat-labile enterotoxin B-pentamer in complex with Lacto-N-neohexaose Deposited 2018-11-27	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Other combination Homooligomer；Protein × 5 PDB declaration: pentameric	Chain A 22–124（103 aa） Chain B 22–124（103 aa） Chain C 22–124（103 aa） Chain I 22–124（103 aa） Chain J 22–124（103 aa）	Not recorded	CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；0.1 M sodium acetate, 20 % w/v PEG 6000, 0.2 M lithium chloride	Resolution 1.45 Å R-free 0.201

20 other PDB entries and 27 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	ELBP_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.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	1djr
Deposition date deposition_date	1999-12-03
Structure title title	HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH M-CARBOXYPHENYL-ALPHA-D-GALACTOSE
Keywords keywords	AB5 TOXINS, CELL RECOGNITION, SIX-STRANDED ANTIPARALLEL BETA-SHEET, TOXIN; TOXIN
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	24.57 Å
Radius of gyration Rg (electron density) rg_electron	23.31 Å
Forward intensity I(0) i0	59524000.00
Molecular weight molecular_weight	60309.0 kDa
Excluded volume excluded_volume	75612 Å³
Envelope volume envelope_volume	87157 Å³
Hydration-shell volume shell_volume	30041 Å³
Envelope diameter envelope_diameter	73.0 Å
Shell Rg shell_rg	31.04 Å
Envelope Rg envelope_rg	23.13 Å
Shape Rg shape_rg	23.33 Å
Total Rg total_rg	24.09 Å
Total atoms total_atoms	4211
Residues n_residues	515
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	71.2 Å
Rg (real space) rg_real	24.38 Å
Rg uncertainty (real space) rg_real_error	0.26 Å
I(0) (real space) i0_real	5.9520e+07
I(0) uncertainty (real space) i0_real_error	6.1200e+05
Rg (reciprocal space) rg_reciprocal	24.43 Å
I(0) (reciprocal space) i0_reciprocal	59530000.0000
Solution quality estimate total_estimate	0.9170
Solution quality rating solution_quality	EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	31.7 Å
Skewness Skewness skewness	0.073
Kurtosis Kurtosis kurtosis	-0.637
Angular range angular_range	— – 0.3250 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	25580000.0000
Real-space data points n_real_points	64
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.981; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.984

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	HEAT-LABILE ENTEROTOXIN
Molecular weight formula_weight	11807.5 kDa
Source method src_method	man
Copy count entity_count	5

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	D,E,F,G,H
Atom count atom_count	5099

APQTITELCSEYRNTQIYTINDKILSYTESMAGKREMVIITFKSGETFQVEVPGSQHIDSQKKAIERMKDTLRITYLTETKIDKLCVWNNKTPNSIAAISMKN

来源 Source

来源生物 organism	Escherichia coli
NCBI Class编号 ncbi_taxonomy_id	562
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	alpha-D-galactopyranose
Molecular weight formula_weight	180.2 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	3

Entity 4 Entity 4 non-polymer

Description description	BENZOIC ACID
Molecular weight formula_weight	122.1 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	807

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7. Fold Classification (SCOP + CATH) 10 domains

SCOP 2.08 (5 domains)

Domain ID domain_id	d1djrd_
Class class	b — All beta proteins
Fold Fold fold	b.40 — OB-fold
Superfamily Superfamily superfamily	b.40.2 — Bacterial enterotoxins
Family Family family	b.40.2.1 — Bacterial AB5 toxins, B-subunits

Domain ID domain_id	d1djre_
Class class	b — All beta proteins
Fold Fold fold	b.40 — OB-fold
Superfamily Superfamily superfamily	b.40.2 — Bacterial enterotoxins
Family Family family	b.40.2.1 — Bacterial AB5 toxins, B-subunits

Domain ID domain_id	d1djrf_
Class class	b — All beta proteins
Fold Fold fold	b.40 — OB-fold
Superfamily Superfamily superfamily	b.40.2 — Bacterial enterotoxins
Family Family family	b.40.2.1 — Bacterial AB5 toxins, B-subunits

Domain ID domain_id	d1djrg_
Class class	b — All beta proteins
Fold Fold fold	b.40 — OB-fold
Superfamily Superfamily superfamily	b.40.2 — Bacterial enterotoxins
Family Family family	b.40.2.1 — Bacterial AB5 toxins, B-subunits

Domain ID domain_id	d1djrh_
Class class	b — All beta proteins
Fold Fold fold	b.40 — OB-fold
Superfamily Superfamily superfamily	b.40.2 — Bacterial enterotoxins
Family Family family	b.40.2.1 — Bacterial AB5 toxins, B-subunits

CATH v4.4 (5 domains)

Domain ID domain_id	1djrD00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily	110 —

Domain ID domain_id	1djrE00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily	110 —

Domain ID domain_id	1djrF00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily	110 —

Domain ID domain_id	1djrG00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily	110 —

Domain ID domain_id	1djrH00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily	110 —

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8. Citations (1)

▶

Unit-cell length a length_a	42.368 Å
Unit-cell length b length_b	95.040 Å
Unit-cell length c length_c	67.507 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	100.71 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	10

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

Resolution resolution	1.300 Å
Low-resolution limit resolution_low	20.000 Å
R factor r_factor	0.1370
R_work r_work	0.1340
R_free r_free	0.1890

fit	/app/data/saxs_computation/dj/1djr/1djr.fit
pddf	/app/data/pr_computation/dj/1djr/1djr.pr.out
profile	/app/data/saxs_computation/dj/1djr/1djr.dat

HEAT-LABILE ENTEROTOXIN B-PENTAMER COMPLEXED WITH M-CARBOXYPHENYL-ALPHA-D-GALACTOSE

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

HEAT-LABILE ENTEROTOXIN

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction