Neutrophil gelatinase-associated lipocalin
Homo sapiens
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 monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain A； UniProt 21–198 | Fragment：residues 23-197 Mutation：C87S | 4PU PLUTONIUM ION × 1 4OZ methyl N-(2,3-dihydroxybenzoyl)-O-formyl-L-serinate × 1 GOL GLYCEROL × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 4；298 K；NaCl, Li2SO4, Acetate, Ammonium Sulfate | Resolution 2.05 Å R-free 0.226 |
| 2 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain B； UniProt 21–198 | Fragment：residues 23-197 Mutation：C87S | 4PU PLUTONIUM ION × 1 4OZ methyl N-(2,3-dihydroxybenzoyl)-O-formyl-L-serinate × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 4；298 K；NaCl, Li2SO4, Acetate, Ammonium Sulfate | Resolution 2.05 Å R-free 0.226 |
| 3 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain C； UniProt 21–198 | Fragment：residues 23-197 Mutation：C87S | 4PU PLUTONIUM ION × 1 4OZ methyl N-(2,3-dihydroxybenzoyl)-O-formyl-L-serinate × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 4；298 K；NaCl, Li2SO4, Acetate, Ammonium Sulfate | Resolution 2.05 Å R-free 0.226 |
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 4ZHD | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1DFV CRYSTAL STRUCTURE OF HUMAN NEUTROPHIL GELATINASE ASSOCIATED LIPOCALIN MONOMER Deposited 1999-11-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–197（177 aa）
|
Not recorded | SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；PEG 8k, Ammonium Sulfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 2.60 Å R-free 0.293 |
| 1DFV CRYSTAL STRUCTURE OF HUMAN NEUTROPHIL GELATINASE ASSOCIATED LIPOCALIN MONOMER Deposited 1999-11-22 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–197（177 aa）
|
Not recorded | SO4 SULFATE ION × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；PEG 8k, Ammonium Sulfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 2.60 Å R-free 0.293 |
| 1DFV CRYSTAL STRUCTURE OF HUMAN NEUTROPHIL GELATINASE ASSOCIATED LIPOCALIN MONOMER Deposited 1999-11-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
21–197（177 aa）
|
Not recorded | SO4 SULFATE ION × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；PEG 8k, Ammonium Sulfate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
|
Resolution 2.60 Å R-free 0.293 |
| 1L6M Neutrophil Gelatinase-associated Lipocalin is a Novel Bacteriostatic Agent that Interferes with Siderophore-mediated Iron Acquisition Deposited 2002-03-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
|
Mutation：C87S | FE FE (III) ION × 1 SO4 SULFATE ION × 1 DBH 2,3-DIHYDROXY-BENZOIC ACID × 2 DBS 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；298 K；PEG 8000, ammonium sulphate, glycerol, PIPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K, pH 7.00
|
Resolution 2.40 Å R-free 0.258 |
| 1L6M Neutrophil Gelatinase-associated Lipocalin is a Novel Bacteriostatic Agent that Interferes with Siderophore-mediated Iron Acquisition Deposited 2002-03-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
|
Mutation：C87S | FE FE (III) ION × 1 DBH 2,3-DIHYDROXY-BENZOIC ACID × 2 DBS 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；298 K；PEG 8000, ammonium sulphate, glycerol, PIPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K, pH 7.00
|
Resolution 2.40 Å R-free 0.258 |
| 1L6M Neutrophil Gelatinase-associated Lipocalin is a Novel Bacteriostatic Agent that Interferes with Siderophore-mediated Iron Acquisition Deposited 2002-03-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
21–198（178 aa）
|
Mutation：C87S | FE FE (III) ION × 1 SO4 SULFATE ION × 2 DBH 2,3-DIHYDROXY-BENZOIC ACID × 1 DBS 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；298 K；PEG 8000, ammonium sulphate, glycerol, PIPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K, pH 7.00
|
Resolution 2.40 Å R-free 0.258 |
| 1NGL HUMAN NEUTROPHIL GELATINASE-ASSOCIATED LIPOCALIN (HNGAL), REGULARISED AVERAGE NMR STRUCTURE Deposited 1999-02-23 | Different construct Different mutation/modification 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
21–198（178 aa）
Fragment：MATURE SEQUENCE
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 6.1；298 K；Ionic strength (raw mmCIF value) 50 mM；Pressure 1
|
Resolution not provided |
| 1QQS NEUTROPHIL GELATINASE ASSOCIATED LIPOCALIN HOMODIMER Deposited 1999-06-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
24–197（174 aa）
|
Not recorded | DKA DECANOIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；14 % W/W PEG 8K 15% V/V GLYCEROL 50MM ACETATE, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.40 Å R-free 0.287 |
| 1X71 Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with TRENCAM-3,2-HOPO, a cepabactin analogue Deposited 2004-08-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
|
Mutation：C87S | FE FE (III) ION × 1 DB1 2,3-DIHYDROXYBENZAMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；295 K；ammonium sulfate, sodium chloride, acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.10 Å R-free 0.257 |
| 1X71 Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with TRENCAM-3,2-HOPO, a cepabactin analogue Deposited 2004-08-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
|
Mutation：C87S | FE FE (III) ION × 1 DB1 2,3-DIHYDROXYBENZAMIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；295 K；ammonium sulfate, sodium chloride, acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.10 Å R-free 0.257 |
| 1X71 Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with TRENCAM-3,2-HOPO, a cepabactin analogue Deposited 2004-08-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
21–198（178 aa）
|
Mutation：C87S | FE FE (III) ION × 1 DB1 2,3-DIHYDROXYBENZAMIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；295 K；ammonium sulfate, sodium chloride, acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.10 Å R-free 0.257 |
| 1X89 Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Carboxymycobactin S Deposited 2004-08-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
|
Mutation：C87S | CM1 CARBOXYMYCOBACTIN S × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；295 K；Ammonium sulfate, sodium chloride, acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.10 Å R-free 0.251 |
| 1X89 Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Carboxymycobactin S Deposited 2004-08-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
|
Mutation：C87S | CM1 CARBOXYMYCOBACTIN S × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；295 K；Ammonium sulfate, sodium chloride, acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.10 Å R-free 0.251 |
| 1X89 Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Carboxymycobactin S Deposited 2004-08-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
21–198（178 aa）
|
Mutation：C87S | CM1 CARBOXYMYCOBACTIN S × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；295 K；Ammonium sulfate, sodium chloride, acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.10 Å R-free 0.251 |
| 1X8U Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Carboxymycobactin T Deposited 2004-08-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
|
Mutation：C87S | CM2 CARBOXYMYCOBACTIN T × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；295 K；Ammonium sulfate, sodium chloride, acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.20 Å R-free 0.253 |
| 1X8U Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Carboxymycobactin T Deposited 2004-08-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
|
Mutation：C87S | CM2 CARBOXYMYCOBACTIN T × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；295 K；Ammonium sulfate, sodium chloride, acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.20 Å R-free 0.253 |
| 1X8U Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Carboxymycobactin T Deposited 2004-08-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
21–198（178 aa）
|
Mutation：C87S | CM2 CARBOXYMYCOBACTIN T × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；295 K；Ammonium sulfate, sodium chloride, acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
|
Resolution 2.20 Å R-free 0.253 |
| 3BY0 Crystal structure of Siderocalin (NGAL, Lipocalin 2) W79A-R81A complexed with Ferric Enterobactin Deposited 2008-01-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–198（198 aa）
|
Mutation：W79A,R81A,C87S | FE FE (III) ION × 1 SO4 SULFATE ION × 1 DBS 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID × 1 DBH 2,3-DIHYDROXY-BENZOIC ACID × 2 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.57 Å R-free 0.262 |
| 3BY0 Crystal structure of Siderocalin (NGAL, Lipocalin 2) W79A-R81A complexed with Ferric Enterobactin Deposited 2008-01-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–198（198 aa）
|
Mutation：W79A,R81A,C87S | FE FE (III) ION × 1 DBH 2,3-DIHYDROXY-BENZOIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.57 Å R-free 0.262 |
| 3BY0 Crystal structure of Siderocalin (NGAL, Lipocalin 2) W79A-R81A complexed with Ferric Enterobactin Deposited 2008-01-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1–198（198 aa）
|
Mutation：W79A,R81A,C87S | FE FE (III) ION × 1 SO4 SULFATE ION × 1 DBS 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID × 2 DBH 2,3-DIHYDROXY-BENZOIC ACID × 1 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.57 Å R-free 0.262 |
| 3CBC Crystal structure of Siderocalin (NGAL, Lipocalin 2) Y106F complexed with Ferric Enterobactin Deposited 2008-02-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–198（198 aa）
|
Mutation：C87S, Y106F | SO4 SULFATE ION × 1 NA SODIUM ION × 1 DBS 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；Ammonium sulfate, Sodium Chloride, Lithium Sulfate, Sodium Acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.17 Å R-free 0.256 |
| 3CBC Crystal structure of Siderocalin (NGAL, Lipocalin 2) Y106F complexed with Ferric Enterobactin Deposited 2008-02-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–198（198 aa）
|
Mutation：C87S, Y106F | SO4 SULFATE ION × 1 NA SODIUM ION × 1 DBS 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；Ammonium sulfate, Sodium Chloride, Lithium Sulfate, Sodium Acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.17 Å R-free 0.256 |
| 3CBC Crystal structure of Siderocalin (NGAL, Lipocalin 2) Y106F complexed with Ferric Enterobactin Deposited 2008-02-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1–198（198 aa）
|
Mutation：C87S, Y106F | SO4 SULFATE ION × 3 NA SODIUM ION × 3 DBS 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID × 1 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；Ammonium sulfate, Sodium Chloride, Lithium Sulfate, Sodium Acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.17 Å R-free 0.256 |
| 3CMP Crystal structure of Siderocalin (NGAL, Lipocalin 2) K125A mutant complexed with Ferric Enterobactin Deposited 2008-03-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–198（198 aa）
|
Mutation：C87S, K125A | FE FE (III) ION × 1 NA SODIUM ION × 1 SO4 SULFATE ION × 2 EB4 N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide) × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；0.2M Ammonium sulfate, 30% PEG4000, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.80 Å R-free 0.304 |
| 3CMP Crystal structure of Siderocalin (NGAL, Lipocalin 2) K125A mutant complexed with Ferric Enterobactin Deposited 2008-03-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–198（198 aa）
|
Mutation：C87S, K125A | FE FE (III) ION × 1 NA SODIUM ION × 1 DBH 2,3-DIHYDROXY-BENZOIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；0.2M Ammonium sulfate, 30% PEG4000, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.80 Å R-free 0.304 |
| 3CMP Crystal structure of Siderocalin (NGAL, Lipocalin 2) K125A mutant complexed with Ferric Enterobactin Deposited 2008-03-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1–198（198 aa）
|
Mutation：C87S, K125A | FE FE (III) ION × 1 NA SODIUM ION × 5 SO4 SULFATE ION × 1 EB4 N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide) × 1 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；0.2M Ammonium sulfate, 30% PEG4000, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.80 Å R-free 0.304 |
| 3DTQ Engineered human lipocalin 2 with specificity for Y-DTPA, apo-form Deposited 2008-07-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
|
Mutation：Q28H, V33Q, L36R, I41A, Y52T, T54Q, S68A, L70R, W79A, I80T, R81M, C87S, K134S, Y138L, T145A | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2.0 M ammonium sulfate, 0.2 M lithium sulfate, 0.1 M Tris/HCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.50 Å R-free 0.291 |
| 3DTQ Engineered human lipocalin 2 with specificity for Y-DTPA, apo-form Deposited 2008-07-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
|
Mutation：Q28H, V33Q, L36R, I41A, Y52T, T54Q, S68A, L70R, W79A, I80T, R81M, C87S, K134S, Y138L, T145A | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2.0 M ammonium sulfate, 0.2 M lithium sulfate, 0.1 M Tris/HCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.50 Å R-free 0.291 |
| 3DTQ Engineered human lipocalin 2 with specificity for Y-DTPA, apo-form Deposited 2008-07-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
21–198（178 aa）
|
Mutation：Q28H, V33Q, L36R, I41A, Y52T, T54Q, S68A, L70R, W79A, I80T, R81M, C87S, K134S, Y138L, T145A | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2.0 M ammonium sulfate, 0.2 M lithium sulfate, 0.1 M Tris/HCl, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.50 Å R-free 0.291 |
| 3FW4 Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric Catechol Deposited 2009-01-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
|
Mutation：C87S | FE FE (III) ION × 1 CAQ CATECHOL × 1 NA SODIUM ION × 2 CL CHLORIDE ION × 5 GOL GLYCEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.0-1.4M Ammonium sulfate, 50 mM Sodium Chloride, 200 mM Lithium Sulfate, 100 mM Sodium Acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.30 Å R-free 0.284 |
| 3FW4 Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric Catechol Deposited 2009-01-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
|
Mutation：C87S | FE FE (III) ION × 1 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.0-1.4M Ammonium sulfate, 50 mM Sodium Chloride, 200 mM Lithium Sulfate, 100 mM Sodium Acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.30 Å R-free 0.284 |
| 3FW4 Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric Catechol Deposited 2009-01-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
21–198（178 aa）
|
Mutation：C87S | FE FE (III) ION × 1 CAQ CATECHOL × 1 NA SODIUM ION × 4 CL CHLORIDE ION × 1 GOL GLYCEROL × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.0-1.4M Ammonium sulfate, 50 mM Sodium Chloride, 200 mM Lithium Sulfate, 100 mM Sodium Acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.30 Å R-free 0.284 |
| 3FW5 Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric 4-methyl-catechol Deposited 2009-01-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
|
Mutation：C87S | FE FE (III) ION × 1 MCT 4-METHYLCATECHOL × 1 NA SODIUM ION × 3 CL CHLORIDE ION × 1 GOL GLYCEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；1.0-1.4M Ammonium sulfate, 50 mM Sodium Chloride, 200 mM Lithium Sulfate, 100 mM Sodium Acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.290 |
| 3FW5 Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric 4-methyl-catechol Deposited 2009-01-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
|
Mutation：C87S | FE FE (III) ION × 1 MCT 4-METHYLCATECHOL × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；1.0-1.4M Ammonium sulfate, 50 mM Sodium Chloride, 200 mM Lithium Sulfate, 100 mM Sodium Acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.290 |
| 3FW5 Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Ferric 4-methyl-catechol Deposited 2009-01-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
21–198（178 aa）
|
Mutation：C87S | FE FE (III) ION × 1 MCT 4-METHYLCATECHOL × 1 NA SODIUM ION × 4 GOL GLYCEROL × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；1.0-1.4M Ammonium sulfate, 50 mM Sodium Chloride, 200 mM Lithium Sulfate, 100 mM Sodium Acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.290 |
| 3HWD Crystal structure of Siderocalin (NGAL, Lipocalin 2) K125A-K134A mutant complexed with Ferric Enterobactin Deposited 2009-06-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–198（198 aa）
|
Mutation：C87S, K125A, K134A | NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；0.2M lithium sulfate, 20% PEG 3350, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.95 Å R-free 0.303 |
| 3HWD Crystal structure of Siderocalin (NGAL, Lipocalin 2) K125A-K134A mutant complexed with Ferric Enterobactin Deposited 2009-06-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–198（198 aa）
|
Mutation：C87S, K125A, K134A | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；0.2M lithium sulfate, 20% PEG 3350, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.95 Å R-free 0.303 |
| 3HWD Crystal structure of Siderocalin (NGAL, Lipocalin 2) K125A-K134A mutant complexed with Ferric Enterobactin Deposited 2009-06-17 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1–198（198 aa）
|
Mutation：C87S, K125A, K134A | NA SODIUM ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；0.2M lithium sulfate, 20% PEG 3350, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.95 Å R-free 0.303 |
| 3HWE Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-BisHaCam Deposited 2009-06-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–198（198 aa）
|
Mutation：C87S | FE FE (III) ION × 1 RKS methyl N~6~-acetyl-N~2~-[(2,3-dihydroxyphenyl)carbonyl]-N~6~-hydroxy-D-lysyl-N~6~-acetyl-N~6~-hydroxy-L-lysinate × 2 GOL GLYCEROL × 2 NA SODIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.80 Å R-free 0.285 |
| 3HWE Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-BisHaCam Deposited 2009-06-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–198（198 aa）
|
Mutation：C87S | FE FE (III) ION × 1 RKS methyl N~6~-acetyl-N~2~-[(2,3-dihydroxyphenyl)carbonyl]-N~6~-hydroxy-D-lysyl-N~6~-acetyl-N~6~-hydroxy-L-lysinate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.80 Å R-free 0.285 |
| 3HWE Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-BisHaCam Deposited 2009-06-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1–198（198 aa）
|
Mutation：C87S | FE FE (III) ION × 1 RKS methyl N~6~-acetyl-N~2~-[(2,3-dihydroxyphenyl)carbonyl]-N~6~-hydroxy-D-lysyl-N~6~-acetyl-N~6~-hydroxy-L-lysinate × 2 NA SODIUM ION × 2 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.80 Å R-free 0.285 |
| 3HWF Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-TrenCam2-hopo Deposited 2009-06-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–198（198 aa）
|
Mutation：C87S | FE FE (III) ION × 1 SO4 SULFATE ION × 2 NA SODIUM ION × 2 TC2 N-{2-[bis(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)amino]ethyl}-1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 3.20 Å R-free 0.272 |
| 3HWF Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-TrenCam2-hopo Deposited 2009-06-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–198（198 aa）
|
Mutation：C87S | FE FE (III) ION × 1 NA SODIUM ION × 1 TC2 N-{2-[bis(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)amino]ethyl}-1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 3.20 Å R-free 0.272 |
| 3HWF Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-TrenCam2-hopo Deposited 2009-06-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1–198（198 aa）
|
Mutation：C87S | FE FE (III) ION × 1 SO4 SULFATE ION × 2 NA SODIUM ION × 1 TC2 N-{2-[bis(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)amino]ethyl}-1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 3.20 Å R-free 0.272 |
| 3HWG Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-TrenCam-hopo2 Deposited 2009-06-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–198（198 aa）
|
Mutation：C87S | FE FE (III) ION × 1 QED N,N'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2 -carboxamide) × 1 GOL GLYCEROL × 5 NA SODIUM ION × 4 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.19 Å R-free 0.268 |
| 3HWG Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-TrenCam-hopo2 Deposited 2009-06-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–198（198 aa）
|
Mutation：C87S | FE FE (III) ION × 1 QED N,N'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2 -carboxamide) × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.19 Å R-free 0.268 |
| 3HWG Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-TrenCam-hopo2 Deposited 2009-06-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1–198（198 aa）
|
Mutation：C87S | FE FE (III) ION × 1 QED N,N'-{[(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)imino]diethane-2,1-diyl}bis(1-hydroxy-6-oxo-1,6-dihydropyridine-2 -carboxamide) × 1 GOL GLYCEROL × 6 NA SODIUM ION × 4 SO4 SULFATE ION × 3 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.19 Å R-free 0.268 |
| 3I0A Crystal structure of Siderocalin (NGAL, Lipocalin 2) K134A mutant complexed with Ferric Enterobactin Deposited 2009-06-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–198（198 aa）
|
Mutation：C87S, K134A | SO4 SULFATE ION × 1 FE FE (III) ION × 1 3ET O-[(2R)-2-amino-3-(D-seryloxy)propanoyl]-N-[(2,3-dihydroxyphenyl)carbonyl]-L-serine × 1 2DS N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2R)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-hydroxypropanoyl]-L-serine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.60 Å R-free 0.300 |
| 3I0A Crystal structure of Siderocalin (NGAL, Lipocalin 2) K134A mutant complexed with Ferric Enterobactin Deposited 2009-06-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–198（198 aa）
|
Mutation：C87S, K134A | FE FE (III) ION × 1 DBH 2,3-DIHYDROXY-BENZOIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.60 Å R-free 0.300 |
| 3I0A Crystal structure of Siderocalin (NGAL, Lipocalin 2) K134A mutant complexed with Ferric Enterobactin Deposited 2009-06-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1–198（198 aa）
|
Mutation：C87S, K134A | SO4 SULFATE ION × 1 FE FE (III) ION × 1 GOL GLYCEROL × 2 MCJ N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2S)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-({N-[(2,3-dihydroxyphenyl)carbonyl]-L-seryl}oxy)propanoyl]-D-serine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.60 Å R-free 0.300 |
| 3K3L Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with apo Enterobactin Deposited 2009-10-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
|
Mutation：C87S | DBS 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID × 1 DBH 2,3-DIHYDROXY-BENZOIC ACID × 2 GOL GLYCEROL × 2 NA SODIUM ION × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.62 Å R-free 0.307 |
| 3K3L Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with apo Enterobactin Deposited 2009-10-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
|
Mutation：C87S | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.62 Å R-free 0.307 |
| 3K3L Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with apo Enterobactin Deposited 2009-10-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
21–198（178 aa）
|
Mutation：C87S | GOL GLYCEROL × 5 NA SODIUM ION × 1 MCK N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2S)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-(L-seryloxy)propanoyl]-L-serine × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.62 Å R-free 0.307 |
| 3PEC Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis Deposited 2010-10-25 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
Fragment：UNP residues 21 to 198
|
Not recorded | GOL GLYCEROL × 4 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.19 Å R-free 0.273 |
| 3PEC Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis Deposited 2010-10-25 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
Fragment：UNP residues 21 to 198
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.19 Å R-free 0.273 |
| 3PEC Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis Deposited 2010-10-25 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
21–198（178 aa）
Fragment：UNP residues 21 to 198
|
Not recorded | GOL GLYCEROL × 3 SO4 SULFATE ION × 2 FE FE (III) ION × 1 NA SODIUM ION × 4 ZYG 9-{hydroxy[(5S,6R)-6-hydroxy-6-{[(1S)-3-{[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)hexyl]amino}-9-oxononanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.19 Å R-free 0.273 |
| 3PED Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis Deposited 2010-10-25 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
Fragment：UNP residues 21 to 198
|
Not recorded | FE FE (III) ION × 1 ZYF (9Z)-11-{hydroxy[(5S)-6-{[(1S)-3-{[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)-6-oxohexyl]amino}-11-oxoundec-9-enoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.30 Å R-free 0.243 |
| 3PED Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis Deposited 2010-10-25 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
Fragment：UNP residues 21 to 198
|
Not recorded | FE FE (III) ION × 1 ZYF (9Z)-11-{hydroxy[(5S)-6-{[(1S)-3-{[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)-6-oxohexyl]amino}-11-oxoundec-9-enoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.30 Å R-free 0.243 |
| 3PED Siderocalin Recognitin of Carboxymycobactins: Interference by the immune system in intracellular iron acquisition by Mycobacteria tuberculosis Deposited 2010-10-25 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
21–198（178 aa）
Fragment：UNP residues 21 to 198
|
Not recorded | FE FE (III) ION × 1 ZYF (9Z)-11-{hydroxy[(5S)-6-{[(1S)-3-{[(3S)-1-hydroxy-2-oxoazepan-3-yl]amino}-1-methyl-3-oxopropyl]oxy}-5-({[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonyl}amino)-6-oxohexyl]amino}-11-oxoundec-9-enoic acid × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.30 Å R-free 0.243 |
| 3T1D The mutant structure of human Siderocalin W79A, R81A, Y106F bound to Enterobactin Deposited 2011-07-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–198（198 aa）
|
Mutation：W79A, R81A, Y106 | GOL GLYCEROL × 4 CL CHLORIDE ION × 3 TD1 O-[(2S)-2-amino-3-hydroxypropanoyl]-N-(2,3-dihydroxybenzoyl)-L-serine × 1 UNX UNKNOWN LIGAND × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate. Protein 10 mg/ml, Cryoprotection 15% glycerol. Target DB: HosaA.18070.a, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.30 Å R-free 0.228 |
| 3T1D The mutant structure of human Siderocalin W79A, R81A, Y106F bound to Enterobactin Deposited 2011-07-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–198（198 aa）
|
Mutation：W79A, R81A, Y106 | GOL GLYCEROL × 2 DBS 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID × 1 DBH 2,3-DIHYDROXY-BENZOIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate. Protein 10 mg/ml, Cryoprotection 15% glycerol. Target DB: HosaA.18070.a, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.30 Å R-free 0.228 |
| 3T1D The mutant structure of human Siderocalin W79A, R81A, Y106F bound to Enterobactin Deposited 2011-07-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1–198（198 aa）
|
Mutation：W79A, R81A, Y106 | GOL GLYCEROL × 1 DBS 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate. Protein 10 mg/ml, Cryoprotection 15% glycerol. Target DB: HosaA.18070.a, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.30 Å R-free 0.228 |
| 3TF6 Crystal structure of Neutrophil gelatinase-associated lipocalin (C87S mutant) in complex with Europium and the siderophore analog tren(cam)(1,2-hopo)2 Deposited 2011-08-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
|
Mutation：C88S | GOL GLYCEROL × 1 EU EUROPIUM ION × 1 DBH 2,3-DIHYDROXY-BENZOIC ACID × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.0-1.5 M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, SSGCID PROTEIN TRACKING DATA: HosaA.18070.a.BE13.PC00083, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.35 Å R-free 0.216 |
| 3TF6 Crystal structure of Neutrophil gelatinase-associated lipocalin (C87S mutant) in complex with Europium and the siderophore analog tren(cam)(1,2-hopo)2 Deposited 2011-08-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
|
Mutation：C88S | EU EUROPIUM ION × 1 DBH 2,3-DIHYDROXY-BENZOIC ACID × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.0-1.5 M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, SSGCID PROTEIN TRACKING DATA: HosaA.18070.a.BE13.PC00083, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.35 Å R-free 0.216 |
| 3TF6 Crystal structure of Neutrophil gelatinase-associated lipocalin (C87S mutant) in complex with Europium and the siderophore analog tren(cam)(1,2-hopo)2 Deposited 2011-08-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
21–198（178 aa）
|
Mutation：C88S | GOL GLYCEROL × 3 EU EUROPIUM ION × 1 DBH 2,3-DIHYDROXY-BENZOIC ACID × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；1.0-1.5 M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5, SSGCID PROTEIN TRACKING DATA: HosaA.18070.a.BE13.PC00083, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.35 Å R-free 0.216 |
| 3TZS Crystal structure of Neutrophil gelatinase-associated lipocalin NGAL (C87S mutant) in complex with fragment 1026, phenylurea Deposited 2011-09-27 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
|
Mutation：C87S | PHU 1-phenylurea × 2 SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.5；291 K；HosaA.18070.a protein at 10 mg/mL against 1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate with 15% glycerol as cryo-protectant, crystal tracking ID 224571a10, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 2.45 Å R-free 0.225 |
| 3TZS Crystal structure of Neutrophil gelatinase-associated lipocalin NGAL (C87S mutant) in complex with fragment 1026, phenylurea Deposited 2011-09-27 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
|
Mutation：C87S | PHU 1-phenylurea × 1 SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.5；291 K；HosaA.18070.a protein at 10 mg/mL against 1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate with 15% glycerol as cryo-protectant, crystal tracking ID 224571a10, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 2.45 Å R-free 0.225 |
| 3TZS Crystal structure of Neutrophil gelatinase-associated lipocalin NGAL (C87S mutant) in complex with fragment 1026, phenylurea Deposited 2011-09-27 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
21–198（178 aa）
|
Mutation：C87S | PHU 1-phenylurea × 2 SO4 SULFATE ION × 4 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.5；291 K；HosaA.18070.a protein at 10 mg/mL against 1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate with 15% glycerol as cryo-protectant, crystal tracking ID 224571a10, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 2.45 Å R-free 0.225 |
| 3U0D The structure of human Siderocalin bound to the bacterial siderophore 2,3-DHBA Deposited 2011-09-28 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–198（198 aa）
|
Mutation：C107S | FE FE (III) ION × 1 DBH 2,3-DIHYDROXY-BENZOIC ACID × 3 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；289 K；HosaA.18070.a at 10mg/ml. 1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5. Cryo protection 15% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 2.51 Å R-free 0.288 |
| 3U0D The structure of human Siderocalin bound to the bacterial siderophore 2,3-DHBA Deposited 2011-09-28 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–198（198 aa）
|
Mutation：C107S | FE FE (III) ION × 1 DBH 2,3-DIHYDROXY-BENZOIC ACID × 3 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；289 K；HosaA.18070.a at 10mg/ml. 1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5. Cryo protection 15% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 2.51 Å R-free 0.288 |
| 3U0D The structure of human Siderocalin bound to the bacterial siderophore 2,3-DHBA Deposited 2011-09-28 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1–198（198 aa）
|
Mutation：C107S | FE FE (III) ION × 1 DBH 2,3-DIHYDROXY-BENZOIC ACID × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；289 K；HosaA.18070.a at 10mg/ml. 1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5. Cryo protection 15% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 2.51 Å R-free 0.288 |
| 3U0D The structure of human Siderocalin bound to the bacterial siderophore 2,3-DHBA Deposited 2011-09-28 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
1–198（198 aa）
|
Mutation：C107S | FE FE (III) ION × 1 DBH 2,3-DIHYDROXY-BENZOIC ACID × 3 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；289 K；HosaA.18070.a at 10mg/ml. 1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5. Cryo protection 15% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 2.51 Å R-free 0.288 |
| 4GH7 Crystal structure of Anticalin N7A in complex with oncofetal fibronectin fragment Fn7B8 Deposited 2012-08-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
21–198（178 aa）
Fragment：Lcn2, UNP residues 21-198
|
Mutation：Q28H, L36K, A40H, I41D, Q49R, Y52Q, S68N, L70R, R72V, K73H, D77N, W79R, R81W, C87S, Y100W, Y106W, K125R, S127Y, Y132L, K134E, S146N | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；17-19%(w/v) PEG3350, 0.1M Na-citrate, pH 5.5-6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.60 Å R-free 0.259 |
| 4GH7 Crystal structure of Anticalin N7A in complex with oncofetal fibronectin fragment Fn7B8 Deposited 2012-08-07 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
21–198（178 aa）
Fragment：Lcn2, UNP residues 21-198
|
Mutation：Q28H, L36K, A40H, I41D, Q49R, Y52Q, S68N, L70R, R72V, K73H, D77N, W79R, R81W, C87S, Y100W, Y106W, K125R, S127Y, Y132L, K134E, S146N | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；17-19%(w/v) PEG3350, 0.1M Na-citrate, pH 5.5-6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.60 Å R-free 0.259 |
| 4IAW Engineered human lipocalin 2 (C26) in complex with Y-DTPA Deposited 2012-12-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
Fragment：UNP residues 21-198
|
Mutation：Q28H,V33Q,L36R,I41A,L42P,P48L,Q49L,Y52T,T54Q,I55T,S68A,L70R,K75M,D77E,W79L,I80T,R81M,C87S,S127Q,K134S,T136S,Y138L,T145A | LIZ N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-N-{(2R)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine × 1 YT3 YTTRIUM (III) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 10.5；293 K；2M dipotassium phosphate, 0.2M lithium sulfate, 0.1M CAPS/NaOH, pH 10.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.40 Å R-free 0.270 |
| 4IAW Engineered human lipocalin 2 (C26) in complex with Y-DTPA Deposited 2012-12-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
Fragment：UNP residues 21-198
|
Mutation：Q28H,V33Q,L36R,I41A,L42P,P48L,Q49L,Y52T,T54Q,I55T,S68A,L70R,K75M,D77E,W79L,I80T,R81M,C87S,S127Q,K134S,T136S,Y138L,T145A | LIZ N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-N-{(2R)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine × 1 YT3 YTTRIUM (III) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 10.5；293 K；2M dipotassium phosphate, 0.2M lithium sulfate, 0.1M CAPS/NaOH, pH 10.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.40 Å R-free 0.270 |
| 4IAW Engineered human lipocalin 2 (C26) in complex with Y-DTPA Deposited 2012-12-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
21–198（178 aa）
Fragment：UNP residues 21-198
|
Mutation：Q28H,V33Q,L36R,I41A,L42P,P48L,Q49L,Y52T,T54Q,I55T,S68A,L70R,K75M,D77E,W79L,I80T,R81M,C87S,S127Q,K134S,T136S,Y138L,T145A | LIZ N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-N-{(2R)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine × 1 YT3 YTTRIUM (III) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 10.5；293 K；2M dipotassium phosphate, 0.2M lithium sulfate, 0.1M CAPS/NaOH, pH 10.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.40 Å R-free 0.270 |
| 4IAX Engineered human lipocalin 2 (CL31) in complex with Y-DTPA Deposited 2012-12-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
Fragment：UNP residues 21-198
|
Mutation：;Q28H,V33Q,L36R,I41A,L42P,R43P,E44M,K46P,D47E,P48L,Q49L,K50L,M51L,Y52T,T54Q,I55T,N65D,S68A,L70R,K75M,D77E,W79L,I80T,R81M,G86S,C87P,S99N,L107F,S127Q,K134S,T136S,Y138L,T145A ; | LIZ N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-N-{(2R)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine × 1 YT3 YTTRIUM (III) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.65；293 K；17%(w/v) PEG3350, 0.4M potassium phosphate, pH 4.65, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.90 Å R-free 0.245 |
| 4K19 The structure of Human Siderocalin bound to the bacterial siderophore fluvibactin Deposited 2013-04-04 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
Fragment：unp residues 21-198
|
Mutation：C107S | FE FE (III) ION × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 1OD (4S,5R)-N,N-bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；1.2M ammonium sulfate, 0.2M lithium sulfate, 0.1M sodium chloride, 0.1M sodium acetate , pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.74 Å R-free 0.294 |
| 4K19 The structure of Human Siderocalin bound to the bacterial siderophore fluvibactin Deposited 2013-04-04 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
Fragment：unp residues 21-198
|
Mutation：C107S | FE FE (III) ION × 1 1OD (4S,5R)-N,N-bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；1.2M ammonium sulfate, 0.2M lithium sulfate, 0.1M sodium chloride, 0.1M sodium acetate , pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.74 Å R-free 0.294 |
| 4K19 The structure of Human Siderocalin bound to the bacterial siderophore fluvibactin Deposited 2013-04-04 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
21–198（178 aa）
Fragment：unp residues 21-198
|
Mutation：C107S | FE FE (III) ION × 1 GOL GLYCEROL × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 1OD (4S,5R)-N,N-bis{3-[(2,3-dihydroxybenzoyl)amino]propyl}-2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide × 1 NA SODIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；1.2M ammonium sulfate, 0.2M lithium sulfate, 0.1M sodium chloride, 0.1M sodium acetate , pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.74 Å R-free 0.294 |
| 4MVI Crystal structure of an engineered lipocalin (Anticalin US7) in complex with the Alzheimer amyloid peptide Abeta(1-40) Deposited 2013-09-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
21–198（178 aa）
Fragment：UNP residues 21-198
|
Mutation：Q28H,L36V,A40K,I41S,Q49W,L70G,R72G,K73T,D77H,W79K,C87S,N96R,Y100R,L103R,Y106A,K125V,S127Q,Y132S,K134N | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.25；293 K；30 % (w/v) PEG 4000, 100 mM sodium acetate, pH 5.25, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.70 Å R-free 0.212 |
| 4MVK Crystal structure of an engineered lipocalin (Anticalin US7) in complex with the Alzheimer amyloid peptide fragment VFFAED Deposited 2013-09-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
21–198（178 aa）
Fragment：UNP residues 21-198
|
Mutation：Q28H,L36V,A40K,I41S,Q49W,L70G,R72G,K73T,D77H,W79K,C87S,N96R,Y100R,L103R,Y106A,K125V,S127Q,Y132S,K134N | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；27 % (w/v) PEG 8000, 100 mM MES, pH 6.5, vapor diffusion, hanging drop, temperature 293K
|
Resolution 1.50 Å R-free 0.186 |
| 4MVL Crystal structure of an engineered lipocalin (Anticalin H1GA) in complex with the Alzheimer amyloid peptide Abeta1-40 Deposited 2013-09-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
21–198（178 aa）
Fragment：UNP residues 21-198
|
Mutation：Q28H,L36A,A40V,I41L,Q49L,L70G,R72D,K73D,D77L,W79K,C87S,N96R,Y100E,L103G,Y106W,K125E,S127A,Y132T,K134N | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；24 % (w/v) PEG 3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.279 |
| 4MVL Crystal structure of an engineered lipocalin (Anticalin H1GA) in complex with the Alzheimer amyloid peptide Abeta1-40 Deposited 2013-09-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
21–198（178 aa）
Fragment：UNP residues 21-198
|
Mutation：Q28H,L36A,A40V,I41L,Q49L,L70G,R72D,K73D,D77L,W79K,C87S,N96R,Y100E,L103G,Y106W,K125E,S127A,Y132T,K134N | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；24 % (w/v) PEG 3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.279 |
| 4MVL Crystal structure of an engineered lipocalin (Anticalin H1GA) in complex with the Alzheimer amyloid peptide Abeta1-40 Deposited 2013-09-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
21–198（178 aa）
Fragment：UNP residues 21-198
|
Mutation：Q28H,L36A,A40V,I41L,Q49L,L70G,R72D,K73D,D77L,W79K,C87S,N96R,Y100E,L103G,Y106W,K125E,S127A,Y132T,K134N | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；24 % (w/v) PEG 3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.279 |
| 4MVL Crystal structure of an engineered lipocalin (Anticalin H1GA) in complex with the Alzheimer amyloid peptide Abeta1-40 Deposited 2013-09-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
21–198（178 aa）
Fragment：UNP residues 21-198
|
Mutation：Q28H,L36A,A40V,I41L,Q49L,L70G,R72D,K73D,D77L,W79K,C87S,N96R,Y100E,L103G,Y106W,K125E,S127A,Y132T,K134N | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；24 % (w/v) PEG 3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.279 |
| 4QAE Crystal structure of an engineered lipocalin (Anticalin) in complex with human hepcidin Deposited 2014-05-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
21–198（178 aa）
Fragment：UNP residues 21-198
|
Mutation：;Q28H,A40E,I41V,Q49M,Y52W,K59E,S68I,L70M,F71P,R72L,K73A,K74E,D77E,W79L,I80F,R81Q,C87S,N96G,Y100G,L103R,Y106G,K125V,S127W,Y132V,K134W,I135V ; | CL CHLORIDE ION × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROPS；pH 6.6；293 K；0.1 M HEPES/NaOH, 47% w/v MPD, pH 6.6, VAPOR DIFFUSION, HANGING DROPS, temperature 293K
|
Resolution 2.10 Å R-free 0.206 |
| 4QAE Crystal structure of an engineered lipocalin (Anticalin) in complex with human hepcidin Deposited 2014-05-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
21–198（178 aa）
Fragment：UNP residues 21-198
|
Mutation：;Q28H,A40E,I41V,Q49M,Y52W,K59E,S68I,L70M,F71P,R72L,K73A,K74E,D77E,W79L,I80F,R81Q,C87S,N96G,Y100G,L103R,Y106G,K125V,S127W,Y132V,K134W,I135V ; | CL CHLORIDE ION × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROPS；pH 6.6；293 K；0.1 M HEPES/NaOH, 47% w/v MPD, pH 6.6, VAPOR DIFFUSION, HANGING DROPS, temperature 293K
|
Resolution 2.10 Å R-free 0.206 |
| 4QAE Crystal structure of an engineered lipocalin (Anticalin) in complex with human hepcidin Deposited 2014-05-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
21–198（178 aa）
Fragment：UNP residues 21-198
|
Mutation：;Q28H,A40E,I41V,Q49M,Y52W,K59E,S68I,L70M,F71P,R72L,K73A,K74E,D77E,W79L,I80F,R81Q,C87S,N96G,Y100G,L103R,Y106G,K125V,S127W,Y132V,K134W,I135V ; | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROPS；pH 6.6；293 K；0.1 M HEPES/NaOH, 47% w/v MPD, pH 6.6, VAPOR DIFFUSION, HANGING DROPS, temperature 293K
|
Resolution 2.10 Å R-free 0.206 |
| 4QAE Crystal structure of an engineered lipocalin (Anticalin) in complex with human hepcidin Deposited 2014-05-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
21–198（178 aa）
Fragment：UNP residues 21-198
|
Mutation：;Q28H,A40E,I41V,Q49M,Y52W,K59E,S68I,L70M,F71P,R72L,K73A,K74E,D77E,W79L,I80F,R81Q,C87S,N96G,Y100G,L103R,Y106G,K125V,S127W,Y132V,K134W,I135V ; | CL CHLORIDE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROPS；pH 6.6；293 K；0.1 M HEPES/NaOH, 47% w/v MPD, pH 6.6, VAPOR DIFFUSION, HANGING DROPS, temperature 293K
|
Resolution 2.10 Å R-free 0.206 |
| 4QAE Crystal structure of an engineered lipocalin (Anticalin) in complex with human hepcidin Deposited 2014-05-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
21–198（178 aa）
Fragment：UNP residues 21-198
|
Mutation：;Q28H,A40E,I41V,Q49M,Y52W,K59E,S68I,L70M,F71P,R72L,K73A,K74E,D77E,W79L,I80F,R81Q,C87S,N96G,Y100G,L103R,Y106G,K125V,S127W,Y132V,K134W,I135V ; | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROPS；pH 6.6；293 K；0.1 M HEPES/NaOH, 47% w/v MPD, pH 6.6, VAPOR DIFFUSION, HANGING DROPS, temperature 293K
|
Resolution 2.10 Å R-free 0.206 |
| 4QAE Crystal structure of an engineered lipocalin (Anticalin) in complex with human hepcidin Deposited 2014-05-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain F
21–198（178 aa）
Fragment：UNP residues 21-198
|
Mutation：;Q28H,A40E,I41V,Q49M,Y52W,K59E,S68I,L70M,F71P,R72L,K73A,K74E,D77E,W79L,I80F,R81Q,C87S,N96G,Y100G,L103R,Y106G,K125V,S127W,Y132V,K134W,I135V ; | CL CHLORIDE ION × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROPS；pH 6.6；293 K；0.1 M HEPES/NaOH, 47% w/v MPD, pH 6.6, VAPOR DIFFUSION, HANGING DROPS, temperature 293K
|
Resolution 2.10 Å R-free 0.206 |
| 4ZFX Siderocalin-mediated recognition and cellular uptake of actinides Deposited 2015-04-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
21–198（178 aa）
Fragment：residues 24-197
Chain B
21–198（178 aa）
Fragment：residues 24-197
Chain C
21–198（178 aa）
Fragment：residues 24-197
|
Not recorded | TH THORIUM ION × 3 EB4 N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide) × 2 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；298 K；NaCl, Li2SO4, Acetate, Ammonium Sulfate
|
Resolution 2.55 Å R-free 0.268 |
| 4ZHC Siderocalin-mediated recognition and cellular uptake of actinides Deposited 2015-04-24 | Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
Fragment：residues 24-198
|
Not recorded | TH THORIUM ION × 1 TC2 N-{2-[bis(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)amino]ethyl}-1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide × 1 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；298 K；NaCl, Li2SO4, Acetate, Ammonium Sulfate
|
Resolution 2.04 Å R-free 0.229 |
| 4ZHC Siderocalin-mediated recognition and cellular uptake of actinides Deposited 2015-04-24 | Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
Fragment：residues 24-198
|
Not recorded | TH THORIUM ION × 1 TC2 N-{2-[bis(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)amino]ethyl}-1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；298 K；NaCl, Li2SO4, Acetate, Ammonium Sulfate
|
Resolution 2.04 Å R-free 0.229 |
| 4ZHC Siderocalin-mediated recognition and cellular uptake of actinides Deposited 2015-04-24 | Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
21–198（178 aa）
Fragment：residues 24-198
|
Not recorded | TH THORIUM ION × 1 TC2 N-{2-[bis(2-{[(2,3-dihydroxyphenyl)carbonyl]amino}ethyl)amino]ethyl}-1-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxamide × 1 ACT ACETATE ION × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；298 K；NaCl, Li2SO4, Acetate, Ammonium Sulfate
|
Resolution 2.04 Å R-free 0.229 |
| 4ZHF Siderocalin-mediated recognition and cellular uptake of actinides Deposited 2015-04-24 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
Fragment：residues 22-198
|
Mutation：C87S | ZCM CURIUM ION × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；298 K；NaCl, Li2SO4, Acetate, Ammonium Sulfate
|
Resolution 2.45 Å R-free 0.224 |
| 4ZHF Siderocalin-mediated recognition and cellular uptake of actinides Deposited 2015-04-24 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
Fragment：residues 22-198
|
Mutation：C87S | ZCM CURIUM ION × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；298 K；NaCl, Li2SO4, Acetate, Ammonium Sulfate
|
Resolution 2.45 Å R-free 0.224 |
| 4ZHF Siderocalin-mediated recognition and cellular uptake of actinides Deposited 2015-04-24 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
21–198（178 aa）
Fragment：residues 22-198
|
Mutation：C87S | ZCM CURIUM ION × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；298 K；NaCl, Li2SO4, Acetate, Ammonium Sulfate
|
Resolution 2.45 Å R-free 0.224 |
| 4ZHF Siderocalin-mediated recognition and cellular uptake of actinides Deposited 2015-04-24 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
21–198（178 aa）
Fragment：residues 22-198
|
Mutation：C87S | ZCM CURIUM ION × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；298 K；NaCl, Li2SO4, Acetate, Ammonium Sulfate
|
Resolution 2.45 Å R-free 0.224 |
| 4ZHF Siderocalin-mediated recognition and cellular uptake of actinides Deposited 2015-04-24 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
21–198（178 aa）
Fragment：residues 22-198
|
Mutation：C87S | ZCM CURIUM ION × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；298 K；NaCl, Li2SO4, Acetate, Ammonium Sulfate
|
Resolution 2.45 Å R-free 0.224 |
| 4ZHF Siderocalin-mediated recognition and cellular uptake of actinides Deposited 2015-04-24 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain F
21–198（178 aa）
Fragment：residues 22-198
|
Mutation：C87S | ZCM CURIUM ION × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；298 K；NaCl, Li2SO4, Acetate, Ammonium Sulfate
|
Resolution 2.45 Å R-free 0.224 |
| 4ZHG Siderocalin-mediated recognition and cellular uptake of actinides Deposited 2015-04-24 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
Fragment：residues 22-198
|
Mutation：C87S | AM AMERICIUM ION × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；298 K；NaCl, Li2SO4, Acetate, Ammonium Sulfate
|
Resolution 2.05 Å R-free 0.217 |
| 4ZHG Siderocalin-mediated recognition and cellular uptake of actinides Deposited 2015-04-24 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
Fragment：residues 22-198
|
Mutation：C87S | AM AMERICIUM ION × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；298 K；NaCl, Li2SO4, Acetate, Ammonium Sulfate
|
Resolution 2.05 Å R-free 0.217 |
| 4ZHG Siderocalin-mediated recognition and cellular uptake of actinides Deposited 2015-04-24 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
21–198（178 aa）
Fragment：residues 22-198
|
Mutation：C87S | AM AMERICIUM ION × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；298 K；NaCl, Li2SO4, Acetate, Ammonium Sulfate
|
Resolution 2.05 Å R-free 0.217 |
| 4ZHG Siderocalin-mediated recognition and cellular uptake of actinides Deposited 2015-04-24 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
21–198（178 aa）
Fragment：residues 22-198
|
Mutation：C87S | AM AMERICIUM ION × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；298 K；NaCl, Li2SO4, Acetate, Ammonium Sulfate
|
Resolution 2.05 Å R-free 0.217 |
| 4ZHG Siderocalin-mediated recognition and cellular uptake of actinides Deposited 2015-04-24 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
21–198（178 aa）
Fragment：residues 22-198
|
Mutation：C87S | AM AMERICIUM ION × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；298 K；NaCl, Li2SO4, Acetate, Ammonium Sulfate
|
Resolution 2.05 Å R-free 0.217 |
| 4ZHG Siderocalin-mediated recognition and cellular uptake of actinides Deposited 2015-04-24 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain F
21–198（178 aa）
Fragment：residues 22-198
|
Mutation：C87S | AM AMERICIUM ION × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；298 K；NaCl, Li2SO4, Acetate, Ammonium Sulfate
|
Resolution 2.05 Å R-free 0.217 |
| 4ZHH Siderocalin-mediated recognition and cellular uptake of actinides Deposited 2015-04-24 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
Fragment：residues 22-198
|
Mutation：C87S | SM SAMARIUM (III) ION × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；298 K；NaCl, Li2SO4, Acetate, Ammonium Sulfate
|
Resolution 2.04 Å R-free 0.199 |
| 4ZHH Siderocalin-mediated recognition and cellular uptake of actinides Deposited 2015-04-24 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
Fragment：residues 22-198
|
Mutation：C87S | SM SAMARIUM (III) ION × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；298 K；NaCl, Li2SO4, Acetate, Ammonium Sulfate
|
Resolution 2.04 Å R-free 0.199 |
| 4ZHH Siderocalin-mediated recognition and cellular uptake of actinides Deposited 2015-04-24 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
21–198（178 aa）
Fragment：residues 22-198
|
Mutation：C87S | SM SAMARIUM (III) ION × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；298 K；NaCl, Li2SO4, Acetate, Ammonium Sulfate
|
Resolution 2.04 Å R-free 0.199 |
| 4ZHH Siderocalin-mediated recognition and cellular uptake of actinides Deposited 2015-04-24 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
21–198（178 aa）
Fragment：residues 22-198
|
Mutation：C87S | SM SAMARIUM (III) ION × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 GOL GLYCEROL × 3 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；298 K；NaCl, Li2SO4, Acetate, Ammonium Sulfate
|
Resolution 2.04 Å R-free 0.199 |
| 4ZHH Siderocalin-mediated recognition and cellular uptake of actinides Deposited 2015-04-24 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
21–198（178 aa）
Fragment：residues 22-198
|
Mutation：C87S | SM SAMARIUM (III) ION × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；298 K；NaCl, Li2SO4, Acetate, Ammonium Sulfate
|
Resolution 2.04 Å R-free 0.199 |
| 4ZHH Siderocalin-mediated recognition and cellular uptake of actinides Deposited 2015-04-24 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain F
21–198（178 aa）
Fragment：residues 22-198
|
Mutation：C87S | SM SAMARIUM (III) ION × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 4；298 K；NaCl, Li2SO4, Acetate, Ammonium Sulfate
|
Resolution 2.04 Å R-free 0.199 |
| 5JR8 Disposal of Iron by a Mutant form of Siderocalin NGAL Deposited 2016-05-05 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
|
Not recorded | PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；1M Na2H/KH2 Phosphate pH 8.2
|
Resolution 2.65 Å R-free 0.209 |
| 5JR8 Disposal of Iron by a Mutant form of Siderocalin NGAL Deposited 2016-05-05 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
|
Not recorded | PO4 PHOSPHATE ION × 2 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；1M Na2H/KH2 Phosphate pH 8.2
|
Resolution 2.65 Å R-free 0.209 |
| 5JR8 Disposal of Iron by a Mutant form of Siderocalin NGAL Deposited 2016-05-05 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
|
Not recorded | PO4 PHOSPHATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；1M Na2H/KH2 Phosphate pH 8.2
|
Resolution 2.65 Å R-free 0.209 |
| 5JR8 Disposal of Iron by a Mutant form of Siderocalin NGAL Deposited 2016-05-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
21–198（178 aa）
|
Not recorded | PO4 PHOSPHATE ION × 4 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；1M Na2H/KH2 Phosphate pH 8.2
|
Resolution 2.65 Å R-free 0.209 |
| 5KHP Tightening the Recognition of Tetravalent Zr and Th Complexes by the Siderophore-Binding Mammalian Protein Siderocalin for Theranostic Applications Deposited 2016-06-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
Fragment：UNP residues 21-198
|
Not recorded | ZR ZIRCONIUM ION × 1 7K9 N,N'-(butane-1,4-diyl)bis(N-{3-[(2,3-dihydroxybenzene-1-carbonyl)amino]propyl}-2,3-dihydroxybenzamide) × 1 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；Acetate, Li2SO4, NaCl, ammonium Sulphate
|
Resolution 2.65 Å R-free 0.228 |
| 5KHP Tightening the Recognition of Tetravalent Zr and Th Complexes by the Siderophore-Binding Mammalian Protein Siderocalin for Theranostic Applications Deposited 2016-06-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
Fragment：UNP residues 21-198
|
Not recorded | ZR ZIRCONIUM ION × 1 7K9 N,N'-(butane-1,4-diyl)bis(N-{3-[(2,3-dihydroxybenzene-1-carbonyl)amino]propyl}-2,3-dihydroxybenzamide) × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；Acetate, Li2SO4, NaCl, ammonium Sulphate
|
Resolution 2.65 Å R-free 0.228 |
| 5KHP Tightening the Recognition of Tetravalent Zr and Th Complexes by the Siderophore-Binding Mammalian Protein Siderocalin for Theranostic Applications Deposited 2016-06-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
21–198（178 aa）
Fragment：UNP residues 21-198
|
Not recorded | ZR ZIRCONIUM ION × 1 7K9 N,N'-(butane-1,4-diyl)bis(N-{3-[(2,3-dihydroxybenzene-1-carbonyl)amino]propyl}-2,3-dihydroxybenzamide) × 1 SO4 SULFATE ION × 4 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；296 K；Acetate, Li2SO4, NaCl, ammonium Sulphate
|
Resolution 2.65 Å R-free 0.228 |
| 5KIC Long-sought stabilization of berkelium(IV) in solution: An anomaly within the heavy actinide series Deposited 2016-06-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
|
Not recorded | CF CALIFORNIUM ION × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；NaCl, Li2SO4,Acetate, Ammonium Sulfate
|
Resolution 2.70 Å R-free 0.242 |
| 5KIC Long-sought stabilization of berkelium(IV) in solution: An anomaly within the heavy actinide series Deposited 2016-06-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
|
Not recorded | CF CALIFORNIUM ION × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；NaCl, Li2SO4,Acetate, Ammonium Sulfate
|
Resolution 2.70 Å R-free 0.242 |
| 5KIC Long-sought stabilization of berkelium(IV) in solution: An anomaly within the heavy actinide series Deposited 2016-06-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
21–198（178 aa）
|
Not recorded | CF CALIFORNIUM ION × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 CL CHLORIDE ION × 1 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；NaCl, Li2SO4,Acetate, Ammonium Sulfate
|
Resolution 2.70 Å R-free 0.242 |
| 5KID Tightening the Recognition of Tetravalent Zr and Th Complexes by the Siderophore-Binding Mammalian Protein Siderocalin for Theranostic Applications Deposited 2016-06-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
Fragment：UNP residues 21-198
|
Not recorded | TH THORIUM ION × 1 7K9 N,N'-(butane-1,4-diyl)bis(N-{3-[(2,3-dihydroxybenzene-1-carbonyl)amino]propyl}-2,3-dihydroxybenzamide) × 1 SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；NaCl,Li2SO4,Acetate, Ammonium Sulphate
|
Resolution 2.15 Å R-free 0.263 |
| 5KID Tightening the Recognition of Tetravalent Zr and Th Complexes by the Siderophore-Binding Mammalian Protein Siderocalin for Theranostic Applications Deposited 2016-06-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
Fragment：UNP residues 21-198
|
Not recorded | TH THORIUM ION × 1 7K9 N,N'-(butane-1,4-diyl)bis(N-{3-[(2,3-dihydroxybenzene-1-carbonyl)amino]propyl}-2,3-dihydroxybenzamide) × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；NaCl,Li2SO4,Acetate, Ammonium Sulphate
|
Resolution 2.15 Å R-free 0.263 |
| 5KID Tightening the Recognition of Tetravalent Zr and Th Complexes by the Siderophore-Binding Mammalian Protein Siderocalin for Theranostic Applications Deposited 2016-06-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
21–198（178 aa）
Fragment：UNP residues 21-198
|
Not recorded | TH THORIUM ION × 1 7K9 N,N'-(butane-1,4-diyl)bis(N-{3-[(2,3-dihydroxybenzene-1-carbonyl)amino]propyl}-2,3-dihydroxybenzamide) × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；NaCl,Li2SO4,Acetate, Ammonium Sulphate
|
Resolution 2.15 Å R-free 0.263 |
| 5MHH Crystal structure of engineered human lipocalin 2 carrying p-boronophenylalanine at position 36 Deposited 2016-11-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
|
Mutation：L36BFP Y52F K125W K134N Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.4；293 K；2.4 M ammonium sulfate
|
Resolution 2.00 Å R-free 0.233 |
| 5N47 Structure of Anticalin N7E in complex with the three-domain fragment Fn7B8 of human oncofetal fibronectin Deposited 2017-02-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
21–198（178 aa）
|
Mutation：Q28H, L36E, A40S, I41L, Q49R, L70R, K73S, D77H, W79L, C87S, N96L, Y100K, L103H, Y106F, K125T, S127A, K134F | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；17 % (w/v) PEG3350, 0.2 M NaCl, 0.1 M Na-malonate
|
Resolution 3.00 Å R-free 0.241 |
| 5N47 Structure of Anticalin N7E in complex with the three-domain fragment Fn7B8 of human oncofetal fibronectin Deposited 2017-02-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
21–198（178 aa）
|
Mutation：Q28H, L36E, A40S, I41L, Q49R, L70R, K73S, D77H, W79L, C87S, N96L, Y100K, L103H, Y106F, K125T, S127A, K134F | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；17 % (w/v) PEG3350, 0.2 M NaCl, 0.1 M Na-malonate
|
Resolution 3.00 Å R-free 0.241 |
| 5N47 Structure of Anticalin N7E in complex with the three-domain fragment Fn7B8 of human oncofetal fibronectin Deposited 2017-02-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
21–198（178 aa）
|
Mutation：Q28H, L36E, A40S, I41L, Q49R, L70R, K73S, D77H, W79L, C87S, N96L, Y100K, L103H, Y106F, K125T, S127A, K134F | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；17 % (w/v) PEG3350, 0.2 M NaCl, 0.1 M Na-malonate
|
Resolution 3.00 Å R-free 0.241 |
| 5N48 Structure of Anticalin N9B in complex with extra-domain B of human oncofetal fibronectin Deposited 2017-02-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
21–198（178 aa）
|
Mutation：Q28H, L36R, A40M, I41R, Q49A, Y52V, S68K, L70M, R72Q, K73R, D77K, W79M, R81N, C87S, N96A, Y100P, L103P, Y106T, K125H, S127F, K134H | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；29 % (w/v) PEG4000, 0.1 M Na-malonate
|
Resolution 1.60 Å R-free 0.208 |
| 5N48 Structure of Anticalin N9B in complex with extra-domain B of human oncofetal fibronectin Deposited 2017-02-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
21–198（178 aa）
|
Mutation：Q28H, L36R, A40M, I41R, Q49A, Y52V, S68K, L70M, R72Q, K73R, D77K, W79M, R81N, C87S, N96A, Y100P, L103P, Y106T, K125H, S127F, K134H | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；29 % (w/v) PEG4000, 0.1 M Na-malonate
|
Resolution 1.60 Å R-free 0.208 |
| 5NKN Crystal structure of an Anticalin-colchicine complex Deposited 2017-03-31 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
25–198（174 aa）
|
Not recorded | LOC N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；2.2 M (NH4)2SO4, 200 mM Li2SO4, 100 mM Tris/HCl
|
Resolution 2.20 Å R-free 0.266 |
| 6GQZ Petrobactin-binding engineered lipocalin without ligand Deposited 2018-06-08 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
25–198（174 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；1.8 M ammonium sulfate, 0.1 M bicine/NaOH
|
Resolution 1.40 Å R-free 0.181 |
| 6GQZ Petrobactin-binding engineered lipocalin without ligand Deposited 2018-06-08 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
25–198（174 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 9；293 K；1.8 M ammonium sulfate, 0.1 M bicine/NaOH
|
Resolution 1.40 Å R-free 0.181 |
| 6GR0 Petrobactin-binding engineered lipocalin in complex with gallium-petrobactin Deposited 2018-06-08 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
25–198（174 aa）
|
Not recorded | F8W 4-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-[2-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-4-oxidanylidene-butanoic acid × 1 GA GALLIUM (III) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；2.5 M sodium chloride, 0.2 M lithium sulfate, 0.1 M sodium acetate
|
Resolution 2.50 Å R-free 0.209 |
| 6GR0 Petrobactin-binding engineered lipocalin in complex with gallium-petrobactin Deposited 2018-06-08 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
25–198（174 aa）
|
Not recorded | F8W 4-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-[2-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-4-oxidanylidene-butanoic acid × 3 GA GALLIUM (III) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；2.5 M sodium chloride, 0.2 M lithium sulfate, 0.1 M sodium acetate
|
Resolution 2.50 Å R-free 0.209 |
| 6GR0 Petrobactin-binding engineered lipocalin in complex with gallium-petrobactin Deposited 2018-06-08 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
25–198（174 aa）
|
Not recorded | F8W 4-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-[2-[4-[3-[[3,4-bis(oxidanyl)phenyl]carbonylamino]propylamino]butylamino]-2-oxidanylidene-ethyl]-2-oxidanyl-4-oxidanylidene-butanoic acid × 2 GA GALLIUM (III) ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.5；293 K；2.5 M sodium chloride, 0.2 M lithium sulfate, 0.1 M sodium acetate
|
Resolution 2.50 Å R-free 0.209 |
| 6O5D PYOCHELIN Deposited 2019-03-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
25–198（174 aa）
Fragment：residues 25-198
|
Mutation：C87S | SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；289 K；HosaA.18070.a at 10 mg/ml. 1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5. Cryoprotection 15% glycerol., VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 2.40 Å R-free 0.254 |
| 6O5D PYOCHELIN Deposited 2019-03-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
25–198（174 aa）
Fragment：residues 25-198
|
Mutation：C87S | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；289 K；HosaA.18070.a at 10 mg/ml. 1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5. Cryoprotection 15% glycerol., VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 2.40 Å R-free 0.254 |
| 6O5D PYOCHELIN Deposited 2019-03-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
25–198（174 aa）
Fragment：residues 25-198
|
Mutation：C87S | SO4 SULFATE ION × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；289 K；HosaA.18070.a at 10 mg/ml. 1.3M Ammonium sulfate, 0.2M Lithium sulfate, 50mM sodium chloride, 0.1M sodium acetate, pH 4.5. Cryoprotection 15% glycerol., VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 2.40 Å R-free 0.254 |
| 6QMU A tetrahedral boronic acid diester formed by a non-natural amino acid in the ligand pocket of an engineered lipocalin Deposited 2019-02-08 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
|
Mutation：L36T2C Y52F K125W K134N Non-standard monomer：Yes (specific site not provided by mmCIF) | ZCQ 3-nitrophenol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；1.6 M ammonium sulfate
|
Resolution 1.98 Å R-free 0.271 |
| 6QMU A tetrahedral boronic acid diester formed by a non-natural amino acid in the ligand pocket of an engineered lipocalin Deposited 2019-02-08 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
|
Mutation：L36T2C Y52F K125W K134N Non-standard monomer：Yes (specific site not provided by mmCIF) | ZCQ 3-nitrophenol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；1.6 M ammonium sulfate
|
Resolution 1.98 Å R-free 0.271 |
| 6S8V Structure of the high affinity Anticalin P3D11 in complex with the human CD98 heavy chain ectodomain Deposited 2019-07-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
21–198（178 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.75；293 K；18 % (w/v) PEG3350, 100 mM sodium malonate
|
Resolution 1.80 Å R-free 0.226 |
| 6S8V Structure of the high affinity Anticalin P3D11 in complex with the human CD98 heavy chain ectodomain Deposited 2019-07-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
21–198（178 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.75；293 K；18 % (w/v) PEG3350, 100 mM sodium malonate
|
Resolution 1.80 Å R-free 0.226 |
| 6SUA Structure of the high affinity engineered lipocalin C1B12 in complex with the mouse CD98 heavy chain ectodomain Deposited 2019-09-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
21–198（178 aa）
|
Mutation：Q28H, A40G, I41N, Q49L, S68D, R72I, K73D, D77H, W79L, R81N, C87S, N96S, Y100T, P101L, L103S, Y106R, K125W, S127H, Y132W, K134Y | SO4 SULFATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；12 %(w/v) PEG8000, 0.2 M Li2SO4
|
Resolution 2.75 Å R-free 0.271 |
| 6SUA Structure of the high affinity engineered lipocalin C1B12 in complex with the mouse CD98 heavy chain ectodomain Deposited 2019-09-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
21–198（178 aa）
|
Mutation：Q28H, A40G, I41N, Q49L, S68D, R72I, K73D, D77H, W79L, R81N, C87S, N96S, Y100T, P101L, L103S, Y106R, K125W, S127H, Y132W, K134Y | SO4 SULFATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；12 %(w/v) PEG8000, 0.2 M Li2SO4
|
Resolution 2.75 Å R-free 0.271 |
| 6Z2C Engineered lipocalin C3A5 in complex with a transition state analog Deposited 2020-05-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
|
Not recorded | Q5E 1,7,8,9,10,10-hexachloro-4-carboxypentyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；PEG 3350, ammonium tartrate
|
Resolution 1.80 Å R-free 0.190 |
| 6Z2C Engineered lipocalin C3A5 in complex with a transition state analog Deposited 2020-05-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
|
Not recorded | Q5E 1,7,8,9,10,10-hexachloro-4-carboxypentyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；PEG 3350, ammonium tartrate
|
Resolution 1.80 Å R-free 0.190 |
| 6Z2C Engineered lipocalin C3A5 in complex with a transition state analog Deposited 2020-05-15 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
21–198（178 aa）
|
Not recorded | Q5E 1,7,8,9,10,10-hexachloro-4-carboxypentyl-4-aza-tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；PEG 3350, ammonium tartrate
|
Resolution 1.80 Å R-free 0.190 |
| 6Z6Z Crystal structure of an Anticalin directed towards colchicine without ligand Deposited 2020-05-29 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
|
Not recorded | CA CALCIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；PEG 3350, calcium chloride
|
Resolution 1.78 Å R-free 0.259 |
| 8UYN Fundamental Characterization of Chelated and Crystallized Actinium in a Macromolecular Host Deposited 2023-11-13 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
|
Not recorded | LA LANTHANUM (III) ION × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Acetate (pH 4), NaCl, Li2SO4, ammonium sulfate
|
Resolution 2.00 Å R-free 0.227 |
| 8UYN Fundamental Characterization of Chelated and Crystallized Actinium in a Macromolecular Host Deposited 2023-11-13 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
|
Not recorded | LA LANTHANUM (III) ION × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Acetate (pH 4), NaCl, Li2SO4, ammonium sulfate
|
Resolution 2.00 Å R-free 0.227 |
| 8UYN Fundamental Characterization of Chelated and Crystallized Actinium in a Macromolecular Host Deposited 2023-11-13 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
21–198（178 aa）
|
Not recorded | LA LANTHANUM (III) ION × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 PIN PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID) × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Acetate (pH 4), NaCl, Li2SO4, ammonium sulfate
|
Resolution 2.00 Å R-free 0.227 |
| 8UZ9 Fundamental Characterization of Chelated and Crystallized Actinium in a Macromolecular Host Deposited 2023-11-14 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
|
Not recorded | ZTM Actinium Ion × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Acetate (pH 4), Li2SO4, NaCl, ammonium sulfate
|
Resolution 2.08 Å R-free 0.255 |
| 8UZ9 Fundamental Characterization of Chelated and Crystallized Actinium in a Macromolecular Host Deposited 2023-11-14 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
21–198（178 aa）
|
Not recorded | ZTM Actinium Ion × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Acetate (pH 4), Li2SO4, NaCl, ammonium sulfate
|
Resolution 2.08 Å R-free 0.255 |
| 8UZ9 Fundamental Characterization of Chelated and Crystallized Actinium in a Macromolecular Host Deposited 2023-11-14 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
21–198（178 aa）
|
Not recorded | ZTM Actinium Ion × 1 4OL N,N'-butane-1,4-diylbis[1-hydroxy-N-(3-{[(1-hydroxy-6-oxo-1,6-dihydropyridin-2-yl)carbonyl]amino}propyl)-6-oxo-1,6-dihydropyridine-2-carboxamide] × 1 SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；Acetate (pH 4), Li2SO4, NaCl, ammonium sulfate
|
Resolution 2.08 Å R-free 0.255 |
| 9JDO LCN2 in complex with phosphoserine Deposited 2024-08-31 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
21–198（178 aa）
|
Not recorded | SEP PHOSPHOSERINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Tris-Hcl pH 7.9, 20% PEG4000
|
Resolution 2.85 Å R-free 0.286 |
57 other PDB entries and 160 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | NGAL_HUMAN |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 3–180； UniProt 21–198 Author chain B； PDBConstruct 3–180； UniProt 21–198 Author chain C； PDBConstruct 3–180； UniProt 21–198 |
