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1jjj

SOLUTION STRUCTURE OF RECOMBINANT HUMAN EPIDERMAL-TYPE FATTY ACID BINDING PROTEIN

Method: SOLUTION NMR Dmax: 37.4 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

EPIDERMAL-TYPE FATTY ACID BINDING PROTEIN (E-FABP)

Homo sapiens

UniProt Q01469

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 1–135 Not recorded No other associated polymer SOLUTION NMR NMR measurement conditions：pH 5.6；298 K；Ionic strength (raw mmCIF value) 20 mM POTASSIUM PHOSPHATE；Pressure AMBIENT NMR sample composition：1.5-2 MM E-FABP PHOSPHATE BUFFER; 0.05% SODIUM AZIDE Resolution not provided

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 1JJJ Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1B56 HUMAN RECOMBINANT EPIDERMAL FATTY ACID BINDING PROTEIN Deposited 1999-01-12 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 1–135（135 aa）
Not recorded PLM PALMITIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.0
Resolution 2.05 Å R-free 0.260
4AZM Human epidermal fatty acid-binding protein (FABP5) in complex with the inhibitor BMS-309413 Deposited 2012-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–135（135 aa）
Chain B 1–135（135 aa）
Not recorded T4B ((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPHENYLYL)OXY)ACETIC ACID × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；1.32 M SODIUM CITRATE, 0.1 M HEPES PH 7.0, SATURATED WITH RESPECT TO BMS-309403, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K. CRYOPROTECTION: 28% GLYCEROL IN MOTHER LIQUOR.
Resolution 2.75 Å R-free 0.252
4AZR Human epidermal fatty acid-binding protein (FABP5) in complex with the endocannabinoid anandamide Deposited 2012-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–135（135 aa）
Chain B 1–135（135 aa）
Not recorded A9M N-(2-hydroxyethyl)icosanamide × 2 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；25% PEG 3350, 0.1 M HEPES PH 7.5. FABP INCUBATED IN A SOLUTION SATURATED WITH RESPECT TO ANANDAMIDE PRIOR TO CRYSTALLIZATION. CRYPROTECTION: 25% GLYCEROL IN MOTHER LIQUOR.
Resolution 2.95 Å R-free 0.268
4LKP Crystal Structure of Apo Human Epidermal Fatty Acid Binding Protein (FABP5) Deposited 2013-07-08 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 1–135（135 aa）
Not recorded CL CHLORIDE ION × 1 DMS DIMETHYL SULFOXIDE × 2 NH4 AMMONIUM ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；291 K；2.0M ammonium sulfate, 300mM Na/K tartrate, 100mM Na citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 1.67 Å R-free 0.214
4LKT Crystal Structure of Human Epidermal Fatty Acid Binding Protein (FABP5) in Complex with Linoleic Acid Deposited 2013-07-08 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 1–135（135 aa）
Not recorded EIC LINOLEIC ACID × 1 GOL GLYCEROL × 4 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；2.4M Ammonium Sulfate, 200mM Na/K Tartrate, 100mM Na Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.57 Å R-free 0.259
4LKT Crystal Structure of Human Epidermal Fatty Acid Binding Protein (FABP5) in Complex with Linoleic Acid Deposited 2013-07-08 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–135（135 aa）
Not recorded EIC LINOLEIC ACID × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 TAR D(-)-TARTARIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；2.4M Ammonium Sulfate, 200mM Na/K Tartrate, 100mM Na Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.57 Å R-free 0.259
4LKT Crystal Structure of Human Epidermal Fatty Acid Binding Protein (FABP5) in Complex with Linoleic Acid Deposited 2013-07-08 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–135（135 aa）
Not recorded EIC LINOLEIC ACID × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 1 TAR D(-)-TARTARIC ACID × 1 CIT CITRIC ACID × 1 NH4 AMMONIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；2.4M Ammonium Sulfate, 200mM Na/K Tartrate, 100mM Na Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.57 Å R-free 0.259
4LKT Crystal Structure of Human Epidermal Fatty Acid Binding Protein (FABP5) in Complex with Linoleic Acid Deposited 2013-07-08 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–135（135 aa）
Not recorded EIC LINOLEIC ACID × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 1 TAR D(-)-TARTARIC ACID × 1 NH4 AMMONIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；2.4M Ammonium Sulfate, 200mM Na/K Tartrate, 100mM Na Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.57 Å R-free 0.259
5HZ5 FABP5 in complex with 6-Chloro-4-phenyl-2-piperidin-1-yl-3-(1H-tetrazol-5-yl)-quinoline Deposited 2016-02-02 Different construct 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 2–135（134 aa） Fragment：SOLUBLE FORM, RESIDUES 2-135
Not recorded DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 1 65X 6-chloro-4-phenyl-2-(piperidin-1-yl)-3-(1H-tetrazol-5-yl)quinoline × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K
Resolution 1.40 Å R-free 0.228
5UR9 Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5 Deposited 2017-02-09 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 1–135（135 aa）
Not recorded 8KS (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid × 1 SO4 SULFATE ION × 3 MYR MYRISTIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 2% polyethylene glycol 400, and 2.1 M ammonium sulfate 15
Resolution 2.20 Å R-free 0.237
5UR9 Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5 Deposited 2017-02-09 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–135（135 aa）
Not recorded 8KS (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid × 1 SO4 SULFATE ION × 2 MYR MYRISTIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 2% polyethylene glycol 400, and 2.1 M ammonium sulfate 15
Resolution 2.20 Å R-free 0.237
5UR9 Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5 Deposited 2017-02-09 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–135（135 aa）
Not recorded 8KS (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid × 1 SO4 SULFATE ION × 2 MYR MYRISTIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 2% polyethylene glycol 400, and 2.1 M ammonium sulfate 15
Resolution 2.20 Å R-free 0.237
5UR9 Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5 Deposited 2017-02-09 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–135（135 aa）
Not recorded 8KS (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid × 1 SO4 SULFATE ION × 2 MYR MYRISTIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 2% polyethylene glycol 400, and 2.1 M ammonium sulfate 15
Resolution 2.20 Å R-free 0.237
5UR9 Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5 Deposited 2017-02-09 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 1–135（135 aa）
Not recorded 8KS (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 2% polyethylene glycol 400, and 2.1 M ammonium sulfate 15
Resolution 2.20 Å R-free 0.237
5UR9 Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5 Deposited 2017-02-09 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 1–135（135 aa）
Not recorded 8KS (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 2% polyethylene glycol 400, and 2.1 M ammonium sulfate 15
Resolution 2.20 Å R-free 0.237
5UR9 Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5 Deposited 2017-02-09 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain G 1–135（135 aa）
Not recorded 8KS (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid × 1 SO4 SULFATE ION × 2 1PE PENTAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 2% polyethylene glycol 400, and 2.1 M ammonium sulfate 15
Resolution 2.20 Å R-free 0.237
5UR9 Enantiomer-Specific Binding of the Potent Antinociceptive Agent SBFI-26 to Anandamide transporters FABP5 Deposited 2017-02-09 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain H 1–135（135 aa）
Not recorded 8KS (1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid × 1 SO4 SULFATE ION × 1 1PE PENTAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M HEPES, pH 7.5, 2% polyethylene glycol 400, and 2.1 M ammonium sulfate 15
Resolution 2.20 Å R-free 0.237
7FWI Crystal Structure of human FABP5 in complex with 2-(indole-1-carbonylamino)benzoic acid, i.e. SMILES c12N(C(=O)Nc3c(cccc3)C(=O)O)C=Cc1cccc2 with IC50=18.1696 microM Deposited 2023-04-27 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 1–135（135 aa）
Not recorded NC0 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368
Resolution 2.00 Å R-free 0.273
7FWI Crystal Structure of human FABP5 in complex with 2-(indole-1-carbonylamino)benzoic acid, i.e. SMILES c12N(C(=O)Nc3c(cccc3)C(=O)O)C=Cc1cccc2 with IC50=18.1696 microM Deposited 2023-04-27 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–135（135 aa）
Not recorded CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368
Resolution 2.00 Å R-free 0.273
7FWI Crystal Structure of human FABP5 in complex with 2-(indole-1-carbonylamino)benzoic acid, i.e. SMILES c12N(C(=O)Nc3c(cccc3)C(=O)O)C=Cc1cccc2 with IC50=18.1696 microM Deposited 2023-04-27 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–135（135 aa）
Not recorded NC0 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368
Resolution 2.00 Å R-free 0.273
7FXD Crystal Structure of human FABP5 in complex with 2-(indole-1-carbonylamino)benzoic acid, i.e. SMILES c12N(C(=O)Nc3c(cccc3)C(=O)O)C=Cc1cccc2 with IC50=18.1696 microM Deposited 2023-04-27 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 1–135（135 aa）
Not recorded NC0 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368
Resolution 2.44 Å R-free 0.280
7FY0 Crystal Structure of human FABP5 in complex with (2R)-1-[(3,5-dichloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid, i.e. SMILES c1(cc(cc(c1c1ccccc1)Cl)Cl)NC(=O)N1CCC[C@@H]1C(=O)O with IC50=18 microM Deposited 2023-04-27 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 1–135（135 aa）
Not recorded DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 3 UOF 1-[(4,6-dichloro[1,1'-biphenyl]-2-yl)carbamoyl]-D-proline × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368
Resolution 1.34 Å R-free 0.192
7FYD Crystal Structure of human FABP5 in complex with 6-chloro-4-phenyl-2-propan-2-ylquinoline-3-carboxylic acid, i.e. SMILES c1(ccc2c(c1)c(c1ccccc1)c(c(n2)C(C)C)C(=O)O)Cl with IC50=2.6 microM Deposited 2023-04-27 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 1–135（135 aa）
Not recorded DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 2 VLQ 6-chloro-4-phenyl-2-(propan-2-yl)quinoline-3-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368
Resolution 1.45 Å R-free 0.223
7G01 Crystal Structure of human FABP5 in complex with 6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid, i.e. SMILES n1c(c(c(c2c1ccc(c2)Cl)c1ccccc1)C(=O)O)N1CCCCC1 with IC50=1.1 microM Deposited 2023-04-27 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 1–135（135 aa）
Not recorded DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 1 5M7 6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid × 2 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368
Resolution 1.17 Å R-free 0.171
7G04 Crystal Structure of human FABP5 in complex with 7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid, i.e. SMILES c12c(ccc(c2)c2ccc(cc2)Cl)CCC[C@H]1C(=O)O with IC50=3.3 microM Deposited 2023-04-27 Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–135（135 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368
Resolution 1.40 Å R-free 0.220
7G04 Crystal Structure of human FABP5 in complex with 7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid, i.e. SMILES c12c(ccc(c2)c2ccc(cc2)Cl)CCC[C@H]1C(=O)O with IC50=3.3 microM Deposited 2023-04-27 Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–135（135 aa）
Not recorded DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 WXZ (1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368
Resolution 1.40 Å R-free 0.220
7G0B Crystal Structure of human FABP5 in complex with 7-bromo-1-methyl-5-phenyl-2,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid, i.e. SMILES [C@@H]1([C@@H](CCN(c2c1cc(cc2)Br)C)C(=O)O)c1ccccc1 with IC50=2.3 microM Deposited 2023-04-27 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 1–135（135 aa）
Not recorded DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 1 WK0 (4S,5S)-7-bromo-1-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1-benzazepine-4-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368
Resolution 1.47 Å R-free 0.219
7G0E Crystal Structure of human FABP5 in complex with 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclopentene-1-carboxylic acid, i.e. SMILES C1CCC2=C(C1)C(=C(S2)NC(=O)C1=C(C(=O)O)CCC1)C(=O)OCC with IC50=1.1 microM Deposited 2023-04-27 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 1–135（135 aa）
Not recorded DMS DIMETHYL SULFOXIDE × 1 L8T 2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid × 2 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368
Resolution 1.11 Å R-free 0.191
7G1Q Crystal Structure of human FABP5 in complex with (1S,2R)-2-[(5-carbamoyl-3-ethoxycarbonyl-4-methyl-2-thienyl)carbamoyl]cyclohexanecarboxylic acid Deposited 2023-04-27 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 1–135（135 aa）
Not recorded DMS DIMETHYL SULFOXIDE × 1 SO4 SULFATE ION × 2 IOV (1R,2S)-2-{[5-carbamoyl-3-(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368
Resolution 1.24 Å R-free 0.201

16 other PDB entries and 29 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name FABPE_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–135； UniProt 1–135

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 1jjj

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id1jjj
Deposition date deposition_date2001-07-06
Structure title titleSOLUTION STRUCTURE OF RECOMBINANT HUMAN EPIDERMAL-TYPE FATTY ACID BINDING PROTEIN
Keywords keywordsBETA BARREL, FATTY ACID CARRIER, HOLO FORM, NMR SPECTROSCOPY, 15N ISOTOPE ENRICHMENT, LIPID BINDING PROTEIN; LIPID BINDING PROTEIN
Experimental Method methodSOLUTION NMR
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier14.24 Å
Radius of gyration Rg (electron density) rg_electron14.09 Å
Forward intensity I(0) i01306640000.00
Molecular weight molecular_weight299240.0 kDa
Excluded volume excluded_volume371920 ų
Envelope volume envelope_volume28860 ų
Hydration-shell volume shell_volume15589 ų
Envelope diameter envelope_diameter49.0 Å
Shell Rg shell_rg21.62 Å
Envelope Rg envelope_rg15.45 Å
Shape Rg shape_rg14.07 Å
Total Rg total_rg14.27 Å
Total atoms total_atoms41860
Residues n_residues2660
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax37.4 Å
Rg (real space) rg_real14.09 Å
Rg uncertainty (real space) rg_real_error0.13 Å
I(0) (real space) i0_real1.3070e+09
I(0) uncertainty (real space) i0_real_error1.2540e+07
Rg (reciprocal space) rg_reciprocal14.10 Å
I(0) (reciprocal space) i0_reciprocal1307000000.0000
Solution quality estimate total_estimate0.8425
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary36.5 Å
Skewness Skewness skewness-0.016
Kurtosis Kurtosis kurtosis-0.498
Angular range angular_range— – 0.5000 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha382300.0000
Real-space data points n_real_points80
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.963; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.073
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (1)

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7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd1jjja_
Class classb — All beta proteins
Fold Fold foldb.60 — Lipocalins
Superfamily Superfamily superfamilyb.60.1 — Lipocalins
Family Family familyb.60.1.2 — Fatty acid binding protein-like

CATH v4.4 (1 domains)

Domain ID domain_id1jjjA00
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology128 — Lipocalin
Homologous superfamily homologous superfamily20 — Calycin beta-barrel core domain
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8. Citations (2)

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9. Files and Curves (10)