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7kp5

Energetic and structural effects of the Tanford transition on the ligand recognition of bovine Beta-lactoglobulin

Method: X-RAY DIFFRACTION Dmax: 78.8 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Beta-lactoglobulin

OrganismNot specified

UniProt P02754

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 × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain AA1； UniProt 17–178 Chain BA1； UniProt 17–178 Not recorded SDS DODECYL SULFATE × 3 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 4.5；277.15 K；12-15 mg/mL protein in 0.05M acetate and 0.1 M NaCl. Combined 1:1 with 0.05M KH2PO4, 20% PEG Resolution 2.40 Å R-free 0.269

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 7KP5 Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1B0O BOVINE BETA-LACTOGLOBULIN COMPLEXED WITH PALMITATE, LATTICE Z Deposited 1998-11-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Not recorded PLM PALMITIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；pH 7.5
Resolution 2.50 Å R-free 0.240
1B8E HIGH RESOLUTION CRYSTAL STRUCTURE OF THE BOVINE BETA-LACTOGLOBULIN (ISOFORMS A AND B) IN ORTHOROMBIC SPACE GROUP Deposited 1999-01-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.9；METHOD IN PRESENCE OF AMMONIUM SULPHATE 2.5 M, 180MM TRIZMA BUFFER AT A PROTEIN CONCENTRATION OF 20MG/ML, pH 7.9, VAPOR DIFFUSION, HANGING DROP
Resolution 1.95 Å R-free 0.252
1BEB BOVINE BETA-LACTOGLOBULIN, LATTICE X Deposited 1996-12-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions batch method；pH 6.5；25MG/ML PROTEIN WAS DISSOLVED IN 0.1M SODIUM/ POTASSIUM PHOSPHATE BUFFER (PH 7.0) AND CRYSTALLIZED BY THE BATCH METHOD FROM 2M AMMONIUM SULFATE (PH 6.5) AND 0.4M SODIUM/POTASSIUM PHOSPHATE BUFFER (PH 7.6)., batch method
Resolution 1.80 Å R-free 0.243
1BEB BOVINE BETA-LACTOGLOBULIN, LATTICE X Deposited 1996-12-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 17–178（162 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions batch method；pH 6.5；25MG/ML PROTEIN WAS DISSOLVED IN 0.1M SODIUM/ POTASSIUM PHOSPHATE BUFFER (PH 7.0) AND CRYSTALLIZED BY THE BATCH METHOD FROM 2M AMMONIUM SULFATE (PH 6.5) AND 0.4M SODIUM/POTASSIUM PHOSPHATE BUFFER (PH 7.6)., batch method
Resolution 1.80 Å R-free 0.243
1BSO 12-BROMODODECANOIC ACID BINDS INSIDE THE CALYX OF BOVINE BETA-LACTOGLOBULIN Deposited 1998-08-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Not recorded BRC 12-BROMODODECANOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.3；PROTEIN WAS CRYSTALLIZED FROM AMMONIUM SULFATE, pH 7.3
Resolution 2.23 Å R-free 0.276
1BSQ STRUCTURAL AND FUNCTIONAL CONSEQUENCES OF POINT MUTATIONS OF VARIANTS A AND B OF BOVINE BETA-LACTOGLOBULIN Deposited 1998-08-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa）
Mutation：VARIANT B No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.1；PROTEIN WAS CRYSTALLIZED FROM AMMONIUM SULFATE; PH 7.1
Resolution 2.22 Å R-free 0.286
1BSY STRUCTURAL BASIS OF THE TANFORD TRANSITION OF BOVINE BETA-LACTOGLOBULIN FROM CRYSTAL STRUCTURES AT THREE PH VALUES; PH 7.1 Deposited 1998-08-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.1；pH 7.1
Resolution 2.24 Å R-free 0.279
1CJ5 BOVINE BETA-LACTOGLOBULIN A Deposited 1999-04-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 19–178（160 aa）
Mutation：VARIANT A (LEU1-ILE2-VAL3 WAS MODIFIED TO GLU(-3)-ALA(-2)-GLU(-1)-ALA1-TYR2- VAL3) ) No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 2；318 K；Ionic strength (raw mmCIF value) 0.02；Pressure 1
NMR sample composition 5% WATER/95% D2O
Resolution not provided
1DV9 STRUCTURAL CHANGES ACCOMPANYING PH-INDUCED DISSOCIATION OF THE B-LACTOGLOBULIN DIMER Deposited 2000-01-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 2.7；310 K；Ionic strength (raw mmCIF value) not known；Pressure ambient
NMR sample composition 1mM B-lactoglobuline-15N,13C; 50mM phosphate buffer; 90% H2O, 10% D2O | 90% H2O/10% D2O
Resolution not provided
1GX8 BOVINE BETA-LACTOGLOBULIN COMPLEXED WITH RETINOL, TRIGONAL LATTICE Z Deposited 2002-03-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Not recorded RTL RETINOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.3；290 K；17 DEG C, 8MUL BLG-RET COMPLEX 20MM TRIS, PH 8 + 8MUL NA CITRATE 1.25M, 0.1M HEPES, PH7.3 DROP
Resolution 2.40 Å R-free 0.306
1GX9 BOVINE BETA-LACTOGLOBULIN COMPLEXED WITH RETINOIC ACID, TRIGONAL LATTICE Z Deposited 2002-03-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Not recorded REA RETINOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.3；290 K；17 DEG C, 8MUL BLG-RET COMPLEX 20MM TRIS, PH 8 + 8MUL NA CITRATE 1.25M, 0.1M HEPES, PH7.3, PER DROP
Resolution 2.34 Å R-free 0.298
1GXA BOVINE BETA-LACTOGLOBULIN COMPLEXED WITH RETINOL AND PALMITIC ACID, TRIGONAL LATTICE Z Deposited 2002-04-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Not recorded PLM PALMITIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.3；290 K；17 DEG C, 8MUL BLG-RET-PLM COMPLEX 20MM TRIS, PH 8 + 8MUL NA CITRATE 1.25M, 0.1M HEPES, PH7.3, PER DROP
Resolution 2.35 Å R-free 0.301
1QG5 HIGH RESOLUTION CRYSTAL STRUCTURE OF THE BOVINE BETA-LACTOGLOBULIN (ISOFORM A) Deposited 1999-04-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.9；THE CRYSTAL WAS GROWN AT PH 7.9, HANGING DROP METHOD. DROP CONTAINED 2.5M (NH4) 2SO4, 180MM TRIZMA BUFFER, AND 20MG/ML PROTEIN REMARK 290, VAPOR DIFFUSION, HANGING DROP
Resolution 2.00 Å R-free 0.287
1UZ2 The Cys121Ser Mutant of Beta-Lactoglobulin Deposited 2004-03-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain X 17–178（162 aa）
Mutation：YES No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；HANGING DROPS WITH 20 MG/ML PROTEIN PLUS APPROX 2M AMMONIUM SULPHATE, 10MM HEPES, PH 7.5
Resolution 1.95 Å R-free 0.267
2AKQ The structure of bovine B-lactoglobulin A in crystals grown at very low ionic strength Deposited 2005-08-03 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Chain B 17–178（162 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；pH 5.2；295 K；Ultra pure water, pH 5.20, MICRODIALYSIS, temperature 295K
Resolution 3.00 Å R-free 0.266
2AKQ The structure of bovine B-lactoglobulin A in crystals grown at very low ionic strength Deposited 2005-08-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 17–178（162 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；pH 5.2；295 K；Ultra pure water, pH 5.20, MICRODIALYSIS, temperature 295K
Resolution 3.00 Å R-free 0.266
2AKQ The structure of bovine B-lactoglobulin A in crystals grown at very low ionic strength Deposited 2005-08-03 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain D 17–178（162 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；pH 5.2；295 K；Ultra pure water, pH 5.20, MICRODIALYSIS, temperature 295K
Resolution 3.00 Å R-free 0.266
2BLG STRUCTURAL BASIS OF THE TANFORD TRANSITION OF BOVINE BETA-LACTOGLOBULIN FROM CRYSTAL STRUCTURES AT THREE PH VALUES; PH 8.2 Deposited 1998-08-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.2；pH 8.2
Resolution 2.46 Å R-free 0.277
2GJ5 Crystal structure of a secondary vitamin D3 binding site of milk beta-lactoglobulin Deposited 2006-03-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa）
Not recorded VD3 (1S,3Z)-3-[(2E)-2-[(1R,3AR,7AS)-7A-METHYL-1-[(2R)-6-METHYLHEPTAN-2-YL]-2,3,3A,5,6,7-HEXAHYDRO-1H-INDEN-4-YLIDENE]ETHYLI DENE]-4-METHYLIDENE-CYCLOHEXAN-1-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1M HEPES, 1.4M tri-sodium citrate dehydrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.40 Å R-free 0.298
2Q2M Beta-lactoglobulin (native) Deposited 2007-05-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；0.01M hepes, 2.2 to 2.8 M Ammonium sulphate, NAOH, pH 7.40, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.268
2Q2P Beta-lactoglobulin (reverse native) Deposited 2007-05-29 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；0.01M Hepes, 2.2 to 2.8 M Ammonium sulphate, NAOH, pH 7.40, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.96 Å R-free 0.242
2Q39 Beta-lactoglobulin (low humidity) Deposited 2007-05-30 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Chain B 17–178（162 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；0.01M hepes, 2.2 to 2.8 M Ammonium sulphate, NAOH, pH 7.40, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.306
2R56 Crystal Structure of a Recombinant IgE Fab Fragment in Complex with Bovine Beta-Lactoglobulin Allergen Deposited 2007-09-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 17–178（162 aa）
Chain B 17–178（162 aa）
Not recorded LMT DODECYL-BETA-D-MALTOSIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；14 % PEG3350, 0.1 M BTP, n-dodecyl-beta-D-maltoside, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.80 Å R-free 0.291
3BLG STRUCTURAL BASIS OF THE TANFORD TRANSITION OF BOVINE BETA-LACTOGLOBULIN FROM CRYSTAL STRUCTURES AT THREE PH VALUES; PH 6.2 Deposited 1998-08-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.2；pH 6.2
Resolution 2.56 Å R-free 0.240
3KZA Crystal structure of Gyuba, a patched chimera of b-lactglobulin Deposited 2009-12-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 33–43（11 aa）
Chain A 58–65（8 aa）
Chain A 68–78（11 aa）
Chain A 82–89（8 aa）
Chain A 96–102（7 aa）
Chain A 105–111（7 aa）
Chain A 118–124（7 aa）
Chain A 133–140（8 aa）
Chain A 146–154（9 aa）
Chain A 161–169（9 aa）
Chain B 33–43（11 aa）
Chain B 58–65（8 aa）
Chain B 68–78（11 aa）
Chain B 82–89（8 aa）
Chain B 96–102（7 aa）
Chain B 105–111（7 aa）
Chain B 118–124（7 aa）
Chain B 133–140（8 aa）
Chain B 146–154（9 aa）
Chain B 161–169（9 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2.0M ammonium sulfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.285
3KZA Crystal structure of Gyuba, a patched chimera of b-lactglobulin Deposited 2009-12-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 33–43（11 aa）
Chain A 58–65（8 aa）
Chain A 68–78（11 aa）
Chain A 82–89（8 aa）
Chain A 96–102（7 aa）
Chain A 105–111（7 aa）
Chain A 118–124（7 aa）
Chain A 133–140（8 aa）
Chain A 146–154（9 aa）
Chain A 161–169（9 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2.0M ammonium sulfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.285
3KZA Crystal structure of Gyuba, a patched chimera of b-lactglobulin Deposited 2009-12-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 33–43（11 aa）
Chain B 58–65（8 aa）
Chain B 68–78（11 aa）
Chain B 82–89（8 aa）
Chain B 96–102（7 aa）
Chain B 105–111（7 aa）
Chain B 118–124（7 aa）
Chain B 133–140（8 aa）
Chain B 146–154（9 aa）
Chain B 161–169（9 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2.0M ammonium sulfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.285
3NPO Bovine beta lactoglobulin unliganded form Deposited 2010-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.34M trisodium citrate, 0.1M Tris-HCl buffer, 96% ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.20 Å R-free 0.260
3NQ3 Bovine beta-lactoglobulin complex with capric acid Deposited 2010-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa）
Not recorded DKA DECANOIC ACID × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.34M trisodium citrate, 0.1M Tris-HCl buffer, 1mM capric acid in 96% ethanol , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.90 Å R-free 0.289
3NQ9 Bovine beta-lactoglobulin complex with caprylic acid Deposited 2010-06-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa）
Not recorded OCA OCTANOIC ACID (CAPRYLIC ACID) × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.34M trisodium citrate, 0.1M Tris-HCl buffer, 10mM caprylic acid in 96% ethanol , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.90 Å R-free 0.309
3PH5 Bovine beta lactoglobulin crystallized through ligandation of yttrium cations Deposited 2010-11-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 18–178（161 aa） Fragment：unp residues 18-178
Not recorded YT3 YTTRIUM (III) ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions Batch Crystallization；pH 7；277 K；Crystallized in presents of 3.0 mM yttrium(III) chlorid, pH 7, Batch Crystallization, temperature 277K
Resolution 2.40 Å R-free 0.263
3PH5 Bovine beta lactoglobulin crystallized through ligandation of yttrium cations Deposited 2010-11-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 18–178（161 aa） Fragment：unp residues 18-178
Not recorded YT3 YTTRIUM (III) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions Batch Crystallization；pH 7；277 K；Crystallized in presents of 3.0 mM yttrium(III) chlorid, pH 7, Batch Crystallization, temperature 277K
Resolution 2.40 Å R-free 0.263
3PH6 Bovine beta lactoglobulin crytsallized through ligandation of yttrium Deposited 2010-11-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 18–178（161 aa） Fragment：unp residues 18-178
Not recorded YT3 YTTRIUM (III) ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions Batch crystallization；pH 7；277 K；0.3 mM Yttrium, pH 7, Batch crystallization, temperature 277K
Resolution 2.53 Å R-free 0.265
3PH6 Bovine beta lactoglobulin crytsallized through ligandation of yttrium Deposited 2010-11-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 18–178（161 aa） Fragment：unp residues 18-178
Not recorded YT3 YTTRIUM (III) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions Batch crystallization；pH 7；277 K；0.3 mM Yttrium, pH 7, Batch crystallization, temperature 277K
Resolution 2.53 Å R-free 0.265
3UEU Bovine beta-lactoglobulin complex with lauric acid Deposited 2011-10-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Not recorded DAO LAURIC ACID × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.34 M trisodium citrarte, 0.1 Tris-HCl buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.255
3UEV Bovine beta-lactoglobulin complex with myristic acid Deposited 2011-10-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Not recorded MYR MYRISTIC ACID × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.34 M trisodium citrate, 0.1 M Tris-HCl buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.90 Å R-free 0.275
3UEV Bovine beta-lactoglobulin complex with myristic acid Deposited 2011-10-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa）
Not recorded MYR MYRISTIC ACID × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.34 M trisodium citrate, 0.1 M Tris-HCl buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.90 Å R-free 0.275
3UEW Bovine beta-lactoglobulin complex with palmitic acid Deposited 2011-10-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Not recorded PLM PALMITIC ACID × 2 EOH ETHANOL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.34 M trisodium citrate, 0.1 M Tris-HCl buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.266
3UEW Bovine beta-lactoglobulin complex with palmitic acid Deposited 2011-10-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa）
Not recorded PLM PALMITIC ACID × 1 EOH ETHANOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.34 M trisodium citrate, 0.1 M Tris-HCl buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.266
3UEX Bovine beta-lactoglobulin complex with stearic acid Deposited 2011-10-31 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Not recorded STE STEARIC ACID × 2 EOH ETHANOL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.34 M trisodium citrarte, 0.1 Tris-HCl buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 239K, temperature 293K
Resolution 2.10 Å R-free 0.284
3UEX Bovine beta-lactoglobulin complex with stearic acid Deposited 2011-10-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa）
Not recorded STE STEARIC ACID × 1 EOH ETHANOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.34 M trisodium citrarte, 0.1 Tris-HCl buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 239K, temperature 293K
Resolution 2.10 Å R-free 0.284
4DQ3 Bovine beta-lactoglobulin complex with oleic acid Deposited 2012-02-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa） Fragment：UNP residues 17-178
Not recorded OLA OLEIC ACID × 2 EOH ETHANOL × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1M Tris-HCl buffer, 1.34M tri-sodium citrate, 1mM oleic acid in ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.289
4DQ3 Bovine beta-lactoglobulin complex with oleic acid Deposited 2012-02-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa） Fragment：UNP residues 17-178
Not recorded OLA OLEIC ACID × 1 EOH ETHANOL × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1M Tris-HCl buffer, 1.34M tri-sodium citrate, 1mM oleic acid in ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.289
4DQ4 Bovine beta-lactoglobulin complex with linoleic acid Deposited 2012-02-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa） Fragment：UNP residues 17-178
Not recorded EIC LINOLEIC ACID × 2 GOL GLYCEROL × 2 EOH ETHANOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1M Tris-HCl buffer, 1.34M tri-sodium citrate, 1mM linoleic acid in ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.290
4DQ4 Bovine beta-lactoglobulin complex with linoleic acid Deposited 2012-02-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa） Fragment：UNP residues 17-178
Not recorded EIC LINOLEIC ACID × 1 GOL GLYCEROL × 1 EOH ETHANOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1M Tris-HCl buffer, 1.34M tri-sodium citrate, 1mM linoleic acid in ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.290
4GNY Bovine beta-lactoglobulin complex with dodecyl sulfate Deposited 2012-08-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Not recorded SDS DODECYL SULFATE × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；291 K；1.34 M trisodium citrate in 0.05 M Tris-HCl buffer, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.64 Å R-free 0.226
4IB6 Bovine beta-lactoglobulin (isoform A) in complex with lauric acid (C12) Deposited 2012-12-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa） Fragment：UNP residues 17-178
Not recorded DAO LAURIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.34M TRISODIUM CITRATE, 0.1M TRIS-HCL BUFFER, PH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.20 Å R-free 0.268
4IB7 Bovine beta-lactoglobulin (isoform A) in complex with dodecyltrimethylammonium (DTAC) Deposited 2012-12-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa） Fragment：UNP residues 17-178
Not recorded CAT DODECANE-TRIMETHYLAMINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.34M TRISODIUM CITRATE, 0.1M TRIS-HCL BUFFER, PH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.20 Å R-free 0.309
4IB8 Bovine beta-lactoglobulin (isoform A) in complex with dodecyl sulphate (SDS) Deposited 2012-12-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa） Fragment：UNP residues 17-178
Not recorded SDS DODECYL SULFATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.34M TRISODIUM CITRATE, 0.1M TRIS-HCL BUFFER, PH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.30 Å R-free 0.285
4IB9 Bovine beta-lactoglobulin (isoform B) in complex with dodecyltrimethylammonium (DTAC) Deposited 2012-12-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa） Fragment：UNP residues 17-178
Not recorded CAT DODECANE-TRIMETHYLAMINE × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.34M TRISODIUM CITRATE, 0.1M TRIS-HCL BUFFER, PH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.20 Å R-free 0.306
4IB9 Bovine beta-lactoglobulin (isoform B) in complex with dodecyltrimethylammonium (DTAC) Deposited 2012-12-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa） Fragment：UNP residues 17-178
Not recorded CAT DODECANE-TRIMETHYLAMINE × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.34M TRISODIUM CITRATE, 0.1M TRIS-HCL BUFFER, PH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.20 Å R-free 0.306
4IBA Bovine beta-lactoglobulin (isoform B) in complex with dodecyl sulphate (SDS) Deposited 2012-12-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa） Fragment：UNP residues 17-178
Not recorded SDS DODECYL SULFATE × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.34M TRISODIUM CITRATE, 0.1M TRIS-HCL BUFFER, PH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.30 Å R-free 0.281
4KII Beta-lactoglobulin in complex with Cp*Rh(III)Cl N,N-di(pyridin-2-yl)dodecanamide Deposited 2013-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa）
Not recorded RHL [N,N-di(pyridin-2-yl-kappaN)dodecanamide]rhodium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.44 M trisodium citrate 100 mM Tris HCl pH 7.5 , VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.85 Å R-free 0.220
4LZU Bovine beta-lactoglobulin crystallized in the presence of 2 mM zinc chloride Deposited 2013-08-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa） Fragment：UNP residues 17-178
Not recorded ZN ZINC ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH；pH 6；277 K；2 mM zinc chloride, pH 6.0, BATCH, temperature 277K
Resolution 2.40 Å R-free 0.231
4LZV Bovine beta-lactoglobulin crystallized in the presence of 20 mM zinc chloride Deposited 2013-08-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa） Fragment：UNP residues 17-178
Not recorded ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions BATCH；pH 5.9；277 K；20 mM zinc chloride, pH 5.9, BATCH, temperature 277K
Resolution 2.44 Å R-free 0.233
4Y0P Bovine beta-lactoglobulin complex with tetracaine (BLG-TET) Deposited 2015-02-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa） Fragment：UNP RESIDUES 17-178
Not recorded TE4 Tetracaine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；protein 20 mg/ml, 1.34 M sodium citrate in 0.1 M Tris-HCl pH 7.5 and 5 mM tetracaine
Resolution 2.20 Å R-free 0.265
4Y0Q Bovine beta-lactoglobulin complex with pramocaine crystallized from sodium citrate (BLG-PRM1) Deposited 2015-02-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa）
Not recorded PX9 Pramocaine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；protein 20 mg/ml, 1.34 M sodium citrate in 0.1 M Tris-HCl pH 7.5
Resolution 2.00 Å R-free 0.278
4Y0R Bovine beta-lactoglobulin complex with pramocaine crystallized from ammonium sulphate (BLG-PRM2) Deposited 2015-02-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa） Fragment：unp residues 17-178
Not recorded PX9 Pramocaine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；protein 20 mg/ml, 2.4 M (NH4)2SO4 in 0.5 M Tris-HCl pH 8.9 and 5 mM pramociane
Resolution 2.30 Å R-free 0.285
5HTD Recombinant bovine beta-lactoglobulin variant L1A/I2S with endogenous ligand (sBlgB#1) Deposited 2016-01-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Mutation：L1A I2S MYR MYRISTIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；1.34 M sodium citrate in 0.1 M Tris pH 7.5
Resolution 2.50 Å R-free 0.272
5HTE Recombinant bovine beta-lactoglobulin variant L1A/I2S (sBlgB#2) Deposited 2016-01-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Mutation：L1A I2S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；2.3 M (NH4)2SO4 in 0.5 M Tris-HCl pH 8.5
Resolution 2.40 Å R-free 0.303
5IO5 Unliganded form of bovine beta-lactoglobulin, ambient pressure Deposited 2016-03-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa）
Not recorded CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；1.34 M citric sodium pH 7.5
Resolution 2.85 Å R-free 0.295
5IO7 Bovine beta-lactoglobulin complex with dodecane at high pressure (0.43 GPa) Deposited 2016-03-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa）
Not recorded D12 DODECANE × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；1.34 M citric sodium
Resolution 2.85 Å R-free 0.229
5K06 Recombinant bovine beta-lactoglobulin with uncleaved N-terminal methionine (rBlgB) Deposited 2016-05-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Not recorded GOL GLYCEROL × 2 MYR MYRISTIC ACID × 2 SIN SUCCINIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；3.0 M (NH4)2SO4 solution in 0.2 M Tris-HCl buffer, pH from 7.8 to 8.8
Resolution 2.50 Å R-free 0.324
5LKE Bovine beta-lactoglobulin complex with myristic acid, ambient pressure Deposited 2016-07-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa）
Not recorded MYR MYRISTIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；1.34 M CITRIC SODIUM, 0.1 Tris-HCL, PH 7.5,
Resolution 2.80 Å R-free 0.313
5LKF Bovine beta-lactoglobulin complex with myristic acid at high pressure (0.55 GPa) Deposited 2016-07-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa）
Not recorded MYR MYRISTIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；1.34 M CITRIC SODIUM, 0.1 M TRIS-HCL,
Resolution 2.50 Å R-free 0.398
5NUJ Engineered beta-lactoglobulin: variant I56F-L39A in complex with chlorpromazine (LG-FA-CLP) Deposited 2017-04-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Mutation：L1A, I2S, I56F, L39A Z80 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；2.80 M (NH4)2SO4 in 0.1 M Tris-HCl, pH 8.0
Resolution 2.60 Å R-free 0.331
5NUK Engineered beta-lactoglobulin: variant I56F-L39A-M107F in complex with chlorpromazine (LG-FAF-CLP) Deposited 2017-04-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Mutation：L1A, I2S, I56F, L39A, M107F Z80 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine × 2 SO4 SULFATE ION × 2 GOL GLYCEROL × 2 PO4 PHOSPHATE ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；2.80 M (NH4)2SO4, 0.1 M Tris pH 8.0
Resolution 1.70 Å R-free 0.269
5NUM Engineered beta-lactoglobulin: variant F105L-L39A in complex with chlorpromazine (LG-LA-CLP) Deposited 2017-04-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Mutation：L1A, I2S, L39A, F105L Z80 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine × 2 PO4 PHOSPHATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；2.60 M (NH4)2SO4 in 0.1 M Tris-HCl, pH 8.0
Resolution 2.30 Å R-free 0.289
5NUN Engineered beta-lactoglobulin: variant F105L-L39A-M107F in complex with chlorpromazine (LG-LAF-CLP) Deposited 2017-04-30 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Mutation：L1A, I2S, L39a, F105L, M107F Z80 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；2.40 M (NH4)2SO4 in 0.1 M Tris-HCl, pH 8.0
Resolution 1.95 Å R-free 0.262
5Y5C Crystal structure of dha bind to bovine beta-lactoglobulin Deposited 2017-08-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；289 K；1.34M trisodium citrate, 0.1M Tris
Resolution 2.61 Å R-free 0.244
5Y5C Crystal structure of dha bind to bovine beta-lactoglobulin Deposited 2017-08-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 17–178（162 aa）
Not recorded HXA DOCOSA-4,7,10,13,16,19-HEXAENOIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；289 K；1.34M trisodium citrate, 0.1M Tris
Resolution 2.61 Å R-free 0.244
6GE7 Thermodynamic, Crystallographic and Computational Studies of Non Mammalian Fatty Acid Binding to Bovine b-Lactoglobulin Deposited 2018-04-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa）
Not recorded EW8 nonadecanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293.2 K；protein 20 mg/mL, ligand 10mM, 20mM Tris buffer, pH 8, which were mixed with 4 microliter of well solution. Drops were equilibrated against 1 mL of well solution containing 1.43 M sodium citrate and 0.1M Hepes, pH 7.5
Resolution 2.30 Å R-free 0.248
6GF9 Thermodynamic, Crystallographic and Computational Studies of Non Mammalian Fatty Acid Binding to Bovine b-Lactoglobulin Deposited 2018-04-29 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa）
Not recorded X90 heptadecanoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293.2 K；protein 20 mg/mL, ligand 10mM, 20mM Tris buffer, pH 8, which were mixed with 4 microliter of well solution. Drops were equilibrated against 1 mL of well solution containing 1.43 M sodium citrate and 0.1M Hepes, pH 7.5
Resolution 2.10 Å R-free 0.245
6GFS Thermodynamic, Crystallographic and Computational Studies of Non Mammalian Fatty Acid Binding to Bovine b-Lactoglobulin Deposited 2018-05-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa）
Not recorded F15 PENTADECANOIC ACID × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293.2 K；protein 20 mg/mL, ligand 10mM, 20mM Tris buffer, pH 8, which were mixed with 4 microliter of well solution. Drops were equilibrated against 1 mL of well solution containing 1.43 M sodium citrate and 0.1M Hepes, pH 7.5
Resolution 2.00 Å R-free 0.248
6GHH Thermodynamic, Crystallographic and Computational Studies of Non Mammalian Fatty Acid Binding to Bovine b-Lactoglobulin Deposited 2018-05-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa）
Not recorded TDA N-TRIDECANOIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.3；293.2 K；protein 20 mg/mL, ligand 10mM, 20mM Tris buffer, pH 8, which were mixed with 4 microliter of well solution. Drops were equilibrated against 1 mL of well solution containing 1.43 M sodium citrate and 0.1M Hepes, pH 7.5
Resolution 1.90 Å R-free 0.248
6NKQ The structure of bovine beta-lactoglobulin in novel crystals grown at pH 3.8 Deposited 2019-01-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–178（178 aa）
Not recorded CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 3.8；293 K；Reservoir of 3 M NaCl buffered with sodium citrate at pH 3.8 - heavy white precipitate formed upon mixing of 30 mg/ml protein in water with reservoir solution. Precipitate was removed by centrifugation. The clear remaining 12ul droplet was equilibrated against the reservoir for 12 to 60 hours
Resolution 2.30 Å R-free 0.261
6NKQ The structure of bovine beta-lactoglobulin in novel crystals grown at pH 3.8 Deposited 2019-01-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–178（178 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 3.8；293 K；Reservoir of 3 M NaCl buffered with sodium citrate at pH 3.8 - heavy white precipitate formed upon mixing of 30 mg/ml protein in water with reservoir solution. Precipitate was removed by centrifugation. The clear remaining 12ul droplet was equilibrated against the reservoir for 12 to 60 hours
Resolution 2.30 Å R-free 0.261
6NKQ The structure of bovine beta-lactoglobulin in novel crystals grown at pH 3.8 Deposited 2019-01-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–178（178 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 3.8；293 K；Reservoir of 3 M NaCl buffered with sodium citrate at pH 3.8 - heavy white precipitate formed upon mixing of 30 mg/ml protein in water with reservoir solution. Precipitate was removed by centrifugation. The clear remaining 12ul droplet was equilibrated against the reservoir for 12 to 60 hours
Resolution 2.30 Å R-free 0.261
6NKQ The structure of bovine beta-lactoglobulin in novel crystals grown at pH 3.8 Deposited 2019-01-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 1–178（178 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 3.8；293 K；Reservoir of 3 M NaCl buffered with sodium citrate at pH 3.8 - heavy white precipitate formed upon mixing of 30 mg/ml protein in water with reservoir solution. Precipitate was removed by centrifugation. The clear remaining 12ul droplet was equilibrated against the reservoir for 12 to 60 hours
Resolution 2.30 Å R-free 0.261
6NKQ The structure of bovine beta-lactoglobulin in novel crystals grown at pH 3.8 Deposited 2019-01-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 1–178（178 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 3.8；293 K；Reservoir of 3 M NaCl buffered with sodium citrate at pH 3.8 - heavy white precipitate formed upon mixing of 30 mg/ml protein in water with reservoir solution. Precipitate was removed by centrifugation. The clear remaining 12ul droplet was equilibrated against the reservoir for 12 to 60 hours
Resolution 2.30 Å R-free 0.261
6NKQ The structure of bovine beta-lactoglobulin in novel crystals grown at pH 3.8 Deposited 2019-01-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–178（178 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 3.8；293 K；Reservoir of 3 M NaCl buffered with sodium citrate at pH 3.8 - heavy white precipitate formed upon mixing of 30 mg/ml protein in water with reservoir solution. Precipitate was removed by centrifugation. The clear remaining 12ul droplet was equilibrated against the reservoir for 12 to 60 hours
Resolution 2.30 Å R-free 0.261
6QI6 Trigonal form of WT recombinant bovine beta-lactoglobulin Deposited 2019-01-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Mutation：L1A, I2S EDO 1,2-ETHANEDIOL × 4 EOH ETHANOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；297 K；2.80 M (NH4)2SO4 in 0.1 M Tris-HCl pH 8.0
Resolution 2.00 Å R-free 0.246
6QI7 Engineered beta-lactoglobulin: variant L39Y in complex with endogenous ligand Deposited 2019-01-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Mutation：L1A, I2S, L39Y PLM PALMITIC ACID × 2 EDO 1,2-ETHANEDIOL × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2.60 M (NH4)2SO4 in 0.1 M Tris-HCl pH 7.1
Resolution 2.50 Å R-free 0.262
6QPD Engineered beta-lactoglobulin: variant I56F Deposited 2019-02-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Mutation：L1A, I2S, I56F SO4 SULFATE ION × 2 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2.60 M (NH4)2SO4 in 0.1 M Tris-HCl pH 8.0
Resolution 2.00 Å R-free 0.269
6QPE Engineered beta-lactoglobulin: variant L58F Deposited 2019-02-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Mutation：L1A, I2S, L58F ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2.80 M (NH4)2SO4 in 0.1 M Tris-HCl pH 8.0
Resolution 2.20 Å R-free 0.251
6RWP Engineered beta-lactoglobulin: variant L58F in complex with myristic acid Deposited 2019-06-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa）
Mutation：L1A, I2S, L58F MYR MYRISTIC ACID × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；2.80 M (NH4)2SO4 in 0.1 M Tris-HCl pH 8.0, 5 mM myristic acid
Resolution 2.10 Å R-free 0.245
6RWQ Engineered beta-lactoglobulin: variant F105L in complex with myristic acid Deposited 2019-06-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Mutation：L1A, I2S, F105L MYR MYRISTIC ACID × 2 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；3.00 M (NH4)2SO4 in 0.1 M Tris-HCl pH 8.0
Resolution 2.05 Å R-free 0.255
6RWR Engineered beta-lactoglobulin: variant M107L in complex with myristic acid Deposited 2019-06-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Mutation：L1A, I2S, M107L MYR MYRISTIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.34 M tri-sodium citrate, 0.1 M Tris pH 8.0
Resolution 2.10 Å R-free 0.221
6RYT Engineered beta-lactoglobulin: variant M107L Deposited 2019-06-11 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Chain B 17–178（162 aa）
Mutation：L1A, I2S, M107L Mutation：L1A, I2S, M107L GOL GLYCEROL × 2 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；2.60 M (NH4)2SO4 in 0.1 Tris-HCl pH 7.9
Resolution 2.10 Å R-free 0.278
6T42 Bovine lactoglobulin complex with decanol Deposited 2019-10-11 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain AAA 17–178（162 aa）
Not recorded DE1 DECAN-1-OL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.34 M sodium citrate in 0.1 M Tris-HCl pH 7.5, decanol
Resolution 1.95 Å R-free 0.229
6XVE Engineered beta-lactoglobulin: variant F105L Deposited 2020-01-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Mutation：L1A, I2S, F105L No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；3.00 M (NH4)2SO4 IN 0.1 M TRIS-HCL PH 8.0
Resolution 2.15 Å R-free 0.291
6ZSQ Crystal structure of the Cisplatin beta-Lactoglobulin adduct formed after 18 h of soaking Deposited 2020-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 17–178（162 aa）
Not recorded NH3 AMMONIA × 1 PT PLATINUM (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；293 K；Crystals of beta-Lactoglobulin were grown using 3.0 M (NH4)2SO4, 0.1 M sodium/potassium phosphate buffer pH 6.9 as reservoir. Protein crystallizes at a concentration of 18 mg/mL. Crystals of beta-Lactoglobulin were soaked in a solution consisting of 3.0 M (NH4)2SO4, 0.1 M sodium/potassium phosphate buffer (pH 6.9) with 5 mM CDDP (about 1:3 protein to metal ratio).
Resolution 2.00 Å R-free 0.224
6ZSQ Crystal structure of the Cisplatin beta-Lactoglobulin adduct formed after 18 h of soaking Deposited 2020-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain BBB 17–178（162 aa）
Not recorded PT PLATINUM (II) ION × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；293 K；Crystals of beta-Lactoglobulin were grown using 3.0 M (NH4)2SO4, 0.1 M sodium/potassium phosphate buffer pH 6.9 as reservoir. Protein crystallizes at a concentration of 18 mg/mL. Crystals of beta-Lactoglobulin were soaked in a solution consisting of 3.0 M (NH4)2SO4, 0.1 M sodium/potassium phosphate buffer (pH 6.9) with 5 mM CDDP (about 1:3 protein to metal ratio).
Resolution 2.00 Å R-free 0.224
6ZSR Crystal structure of the Cisplatin beta-Lactoglobulin adduct formed after 72 h of soaking Deposited 2020-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 17–178（162 aa）
Not recorded NH3 AMMONIA × 1 PT PLATINUM (II) ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；293 K；Crystals of beta-Lactoglobulin were grown using 3.0 M (NH4)2SO4, 0.1 M sodium/potassium phosphate buffer pH 6.9 as reservoir. Protein crystallizes at a concentration of 18 mg/mL. Crystals of beta-Lactoglobulin were soaked in a solution consisting of 3.0 M (NH4)2SO4, 0.1 M sodium/potassium phosphate buffer (pH 6.9) with 5 mM CDDP (about 1:3 protein to metal ratio).
Resolution 2.00 Å R-free 0.283
6ZSR Crystal structure of the Cisplatin beta-Lactoglobulin adduct formed after 72 h of soaking Deposited 2020-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain BBB 17–178（162 aa）
Not recorded NH3 AMMONIA × 1 PT PLATINUM (II) ION × 3 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；293 K；Crystals of beta-Lactoglobulin were grown using 3.0 M (NH4)2SO4, 0.1 M sodium/potassium phosphate buffer pH 6.9 as reservoir. Protein crystallizes at a concentration of 18 mg/mL. Crystals of beta-Lactoglobulin were soaked in a solution consisting of 3.0 M (NH4)2SO4, 0.1 M sodium/potassium phosphate buffer (pH 6.9) with 5 mM CDDP (about 1:3 protein to metal ratio).
Resolution 2.00 Å R-free 0.283
7BF7 Mutant L58F of recombinant bovine beta-lactoglobulin in complex with tetracaine Deposited 2021-01-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain AAA 17–178（162 aa）
Mutation：L1A, I2S, L58F TE4 Tetracaine × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；2.8 M ammonium sulfate in 0.5 M Tris-HCl pH 8.0
Resolution 2.10 Å R-free 0.249
7BF8 Mutant I56F of recombinant bovine beta-lactoglobulin in complex with tetracaine Deposited 2021-01-01 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain AAA 17–178（162 aa）
Chain BBB 17–178（162 aa）
Mutation：L1A, I2S, I56F Mutation：L1A, I2S, I56F SO4 SULFATE ION × 3 TE4 Tetracaine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；2.4 M ammonium sulfate in 0.5 M Tris-HCl pH 8.0
Resolution 1.80 Å R-free 0.222
7BF9 Mutant M107L of recombinant bovine beta-lactoglobulin in complex with tetracaine Deposited 2021-01-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain AAA 17–178（162 aa）
Mutation：L1A, I2S, M107L TE4 Tetracaine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；1,34 M tri-sodium citrate in 0.5 Tris o pH 8.0
Resolution 1.80 Å R-free 0.223
7BGA Mutant F105A of recombinant beta-lactoglobulin in complex with endogenous ligand Deposited 2021-01-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain AAA 17–178（162 aa）
Mutation：L1A, I2S, F105A DAO LAURIC ACID × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；2.6 M ammonium sulfate in 0.5 M Tris-HCl pH 8.5
Resolution 1.90 Å R-free 0.243
7BGX Mutant F105L of recombinant beta-lactoglobulin Deposited 2021-01-08 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain AAA 17–178（162 aa）
Mutation：L1A, I2S, F105L GOL GLYCEROL × 4 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；2.4 M ammonium sulfate in 0.5 M Tris-HCl pH 8.0
Resolution 2.00 Å R-free 0.246
7BGZ Mutant L39K of recombinant beta-lactoglobulin in complex with endogenous ligand Deposited 2021-01-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain AAA 17–178（162 aa）
Mutation：L1A, I2S, L39K DKA DECANOIC ACID × 2 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；3.0 M ammonium sulfate in 0.5 M Tris-HCl pH 8.5
Resolution 2.40 Å R-free 0.266
7BH0 Mutant L39Y of recombinant beta-lactoglobulin in complex with endogenous ligand Deposited 2021-01-09 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain AAA 17–178（162 aa）
Mutation：L1A, I2S, L39Y DAO LAURIC ACID × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.1；293 K；2.2 M ammonium sulfate in 0.5 M Tris-HCl pH 7.1
Resolution 2.10 Å R-free 0.275
7KOT Energetic and structural effects of the Tanford transition on the ligand recognition of bovine Beta-lactoglobulin Deposited 2020-11-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 17–178（162 aa）
Not recorded SDS DODECYL SULFATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；277.15 K；0.1 M NaCl, pH 4.5 and in 0.05 M Tris-HCl, 0.1 M NaCl, pH 8.0
Resolution 1.74 Å R-free 0.229
7NQB X.ray structure of the oxaliplatin/beta-lactoglobulin adduct Deposited 2021-03-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 17–178（162 aa）
Not recorded PT PLATINUM (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.2M KCl, 0.04M HEPES, 35% v/v pentaerythritol propoxylate
Resolution 2.01 Å R-free 0.284
7NQB X.ray structure of the oxaliplatin/beta-lactoglobulin adduct Deposited 2021-03-01 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain BBB 17–178（162 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.2M KCl, 0.04M HEPES, 35% v/v pentaerythritol propoxylate
Resolution 2.01 Å R-free 0.284
7Q17 Beta-lactoglobulin mutant FAW (I56F/L39A/M107W), unliganded form Deposited 2021-10-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain AAA 17–178（162 aa）
Mutation：L1A, I2S, L39A, I56F, M107W EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；2.40 M ammonium sulfate, 0.5 M Tris-HCl pH 8.5
Resolution 1.80 Å R-free 0.226
7Q18 Beta-lactoglobulin mutant FAF (I56F/L39A/M107F), unliganded form Deposited 2021-10-18 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain AAA 17–178（162 aa）
Chain BBB 17–178（162 aa）
Mutation：L1A, I2S, L39A, I56F, M107F Mutation：L1A, I2S, L39A, I56F, M107F SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；2.40 M (NH4)2SO4, 0.5 M Tris-HCl pH 8.5
Resolution 1.80 Å R-free 0.233
7Q19 Beta-lactoglobulin mutant FAW (I56F/L39A/M107W) in complex with desipramine (FAW-DSM#3) Deposited 2021-10-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain AAA 17–178（162 aa）
Mutation：L1A, I2S, L39A, I56F, M107W DSM 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE × 2 EDO 1,2-ETHANEDIOL × 2 SO4 SULFATE ION × 4 CL CHLORIDE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；2.40 M (NH4)2SO4, 0.5 M Tris-HCl pH 8.5, desipramine
Resolution 1.55 Å R-free 0.234
7Q2N Beta-lactoglobulin mutant FAF (I56F/L39A/M107F) in complex with desipramine (FAF-DSM) Deposited 2021-10-25 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain AAA 17–178（162 aa）
Chain BBB 17–178（162 aa）
Mutation：L1A, I2S, L39A, I56F, M107F Mutation：L1A, I2S, L39A, I56F, M107F DSM 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE × 4 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；2.40 M (NH4)2SO4, 0.5 M Tris-HCl pH 8.5, desipramine
Resolution 1.70 Å R-free 0.233
7Q2O Beta-lactoglobulin mutant FAW (I56F/L39A/M107W) in complex with desipramine (FAW-DSM#1) Deposited 2021-10-25 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain AAA 17–178（162 aa）
Chain BBB 17–178（162 aa）
Mutation：L1A, I2S, L39A, I56F, M107W Mutation：L1A, I2S, L39A, I56F, M107W SO4 SULFATE ION × 1 DSM 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE × 4 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；2.20 M (NH4)2SO4, 0.5 M Tris-HCl pH 8.5
Resolution 1.80 Å R-free 0.221
7Q2P Beta-lactoglobulin mutant FAW (I56F/L39A/M107W) in complex with desipramine (FAW-DSM#2) Deposited 2021-10-25 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain AAA 17–178（162 aa）
Chain BBB 17–178（162 aa）
Mutation：L1A, I2S, L39A, I56F, M107W Mutation：L1A, I2S, L39A, I56F, M107W EDO 1,2-ETHANEDIOL × 2 DSM 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE × 3 SO4 SULFATE ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；2.40 M (NH4)2SO4, 0.5 M Tris-HCl pH 8.5
Resolution 1.69 Å R-free 0.235
7WQL Bovin Beta-lactoglobulin binding with zinc ions Deposited 2022-01-25 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 17–178（162 aa）
Chain B 17–178（162 aa）
Not recorded ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；20% PEG3350, 200 mM Ammonium formate
Resolution 2.00 Å R-free 0.261
7Z9Z Mutant L39Y of recombinant bovine beta-lactoglobulin in complex with pramocaine Deposited 2022-03-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain AAA 19–178（160 aa）
Mutation：L1A, I2S, L39Y PX9 Pramocaine × 2 SO4 SULFATE ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；2.4 M ammonium sulfate in 0.5 M Tris-HCl, pH 8.5
Resolution 2.50 Å R-free 0.276
7ZA0 Mutant L58F of recombinant bovine beta-lactoglobulin in complex with pramocaine Deposited 2022-03-21 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain AAA 17–178（162 aa）
Mutation：L1A, I2S, L58F PX9 Pramocaine × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；2.2 M ammonium sulfate in 0.5 M Tris-HCl pH 8.5
Resolution 2.10 Å R-free 0.224
7ZCD Mutant L39Y-L58F of recombinant bovine beta-lactoglobulin in complex with pramocaine Deposited 2022-03-27 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain AAA 19–178（160 aa）
Mutation：L1A, I2S, L39Y, L58F PX9 Pramocaine × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；2.2M ammonium sulfate, 0.5 M Tris-HCl, pH 8.5
Resolution 2.10 Å R-free 0.269
7ZLF Mutant L39Y-L58F of recombinant bovine beta-lactoglobulin in complex with endogenous fatty acid Deposited 2022-04-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain AAA 19–178（160 aa）
Mutation：L1A, I2S, L39Y, L58F DAO LAURIC ACID × 2 EDO 1,2-ETHANEDIOL × 4 SO4 SULFATE ION × 2 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；2.4 M in 0.5 M Tris-HCl, pH 8.5
Resolution 2.10 Å R-free 0.237
9I7N Beta-lactoglobulin complex with retinol post lyophilization Deposited 2025-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–178（178 aa）
Not recorded RTL RETINOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；293 K；2.4 M ammonium sulfate 0.5 M TRIS
Resolution 1.95 Å R-free 0.211
9I7O Beta-lactoglobulin complex with retinol Deposited 2025-01-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–178（178 aa）
Not recorded RTL RETINOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；293 K；2.4 M ammonium sulfate 0.5 M TRIS
Resolution 2.00 Å R-free 0.197
9IAH Structure of beta-lactoglobulin fibril Deposited 2025-02-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain A 17–50（34 aa）
Chain B 17–50（34 aa）
Chain C 17–50（34 aa）
Chain D 17–50（34 aa）
Chain E 17–50（34 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 2.5
cryo-EM vitrification conditions Cryogen ETHANE-PROPANE；3.7 ul sample was applied and blotted for 6 s after a wait time of 30 s with a force of 0
Resolution 3.17 Å
9JHF Cryo-EM structure of beta-LG fibril Deposited 2024-09-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain AA 17–48（32 aa）
Chain AB 17–48（32 aa）
Chain AC 17–48（32 aa）
Chain AD 17–48（32 aa）
Chain AE 17–48（32 aa）
Chain AF 17–48（32 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.06 Å
9JHG Cryo-em structure of beta-LG fibril Deposited 2024-09-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 17–48（32 aa）
Chain B 17–48（32 aa）
Chain C 17–48（32 aa）
Chain D 17–48（32 aa）
Chain E 17–48（32 aa）
Chain F 17–48（32 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.38 Å
9JHH Cryo-em structure of beta-LG fibril Deposited 2024-09-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 17–48（32 aa）
Chain B 17–48（32 aa）
Chain C 17–48（32 aa）
Chain D 17–48（32 aa）
Chain E 17–48（32 aa）
Chain F 17–48（32 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.45 Å
9JHI Cryo-em structure of beta-LG fibril Deposited 2024-09-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain AA 17–48（32 aa）
Chain AB 17–48（32 aa）
Chain AC 17–48（32 aa）
Chain AD 17–48（32 aa）
Chain AE 17–48（32 aa）
Chain AF 17–48（32 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 2
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.73 Å

101 other PDB entries and 123 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name LACB_BOVIN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain AA1； PDBConstruct 1–162； UniProt 17–178 Author chain BA1； PDBConstruct 1–162； UniProt 17–178

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 7kp5

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 7kp5
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2. Structure Basics 2. Structure Basics

Entry ID entry_id7kp5
Deposition date deposition_date2020-11-10
Structure title titleEnergetic and structural effects of the Tanford transition on the ligand recognition of bovine Beta-lactoglobulin
Keywords keywordsBovine beta-lactoglobulin, Lipocalin, Tanford transition, Structural energetics, TRANSPORT PROTEIN; TRANSPORT PROTEIN
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_guinier21.87 Å
Radius of gyration Rg (electron density) rg_electron21.20 Å
Forward intensity I(0) i018944200.00
Molecular weight molecular_weight33519.0 kDa
Excluded volume excluded_volume42127 ų
Envelope volume envelope_volume49275 ų
Hydration-shell volume shell_volume20144 ų
Envelope diameter envelope_diameter79.3 Å
Shell Rg shell_rg27.16 Å
Envelope Rg envelope_rg21.40 Å
Shape Rg shape_rg21.24 Å
Total Rg total_rg21.90 Å
Total atoms total_atoms2350
Residues n_residues317
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 dmax78.8 Å
Rg (real space) rg_real21.96 Å
Rg uncertainty (real space) rg_real_error0.65 Å
I(0) (real space) i0_real1.8940e+07
I(0) uncertainty (real space) i0_real_error2.7070e+05
Rg (reciprocal space) rg_reciprocal21.94 Å
I(0) (reciprocal space) i0_reciprocal18940000.0000
Solution quality estimate total_estimate0.8192
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary23.5 Å
Skewness Skewness skewness0.513
Kurtosis Kurtosis kurtosis-0.086
Angular range angular_range— – 0.3650 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha6074000.0000
Real-space data points n_real_points68
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.606; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.841; Smooth: 0.988
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

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8. Citations (1)

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9. Files and Curves (10)