SAXSdb — 4lkp

▼

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

Fatty acid-binding protein, epidermal

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 1–135	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

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 4LKP	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 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
1JJJ SOLUTION STRUCTURE OF RECOMBINANT HUMAN EPIDERMAL-TYPE FATTY ACID BINDING PROTEIN Deposited 2001-07-06	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	No recorded non-water small molecule	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
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 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 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
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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 ligand/ion 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 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 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 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 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	FABP5_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 4–138； 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.

▼

2. Structure Basics 2. Structure Basics

Entry ID entry_id	4lkp
Deposition date deposition_date	2013-07-08
Structure title title	Crystal Structure of Apo Human Epidermal Fatty Acid Binding Protein (FABP5)
Keywords keywords	Beta Barrel, Beta Clam, Fatty Acid Binding Protein, Fatty Acids, Nucleus, LIPID BINDING PROTEIN; LIPID BINDING PROTEIN
Experimental Method method	X-RAY DIFFRACTION

▼

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

Radius of gyration Rg (Guinier) rg_guinier	15.41 Å
Radius of gyration Rg (electron density) rg_electron	14.17 Å
Forward intensity I(0) i0	5025030.00
Molecular weight molecular_weight	15338.0 kDa
Excluded volume excluded_volume	18966 Å³
Envelope volume envelope_volume	21942 Å³
Hydration-shell volume shell_volume	13073 Å³
Envelope diameter envelope_diameter	46.4 Å
Shell Rg shell_rg	20.11 Å
Envelope Rg envelope_rg	14.34 Å
Shape Rg shape_rg	14.14 Å
Total Rg total_rg	15.40 Å
Total atoms total_atoms	1062
Residues n_residues	134
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

▼

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

Maximum dimension Dmax dmax	48.2 Å
Rg (real space) rg_real	15.29 Å
Rg uncertainty (real space) rg_real_error	0.27 Å
I(0) (real space) i0_real	5.0250e+06
I(0) uncertainty (real space) i0_real_error	5.0040e+04
Rg (reciprocal space) rg_reciprocal	15.30 Å
I(0) (reciprocal space) i0_reciprocal	5025000.0000
Solution quality estimate total_estimate	0.8929
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	20.1 Å
Skewness Skewness skewness	0.069
Kurtosis Kurtosis kurtosis	-0.418
Angular range angular_range	— – 0.5000 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	1017000.0000
Real-space data points n_real_points	80
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.876; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.989

▶

5. Crystallography and Experiment 5. Crystallography & Experiment

▶

6. Entities and Polymers Entities & Polymers (6)

Entity 1 Entity 1 polymer

Description description	Fatty acid-binding protein, epidermal
Molecular weight formula_weight	15457.7 kDa
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	1221

SNAMATVQQLEGRWRLVDSKGFDEYMKELGVGIALRKMGAMAKPDCIITCDGKNLTIKTESTLKTTQFSCTLGEKFEETTADGRKTQTVCNFTDGALVQHQEWDGKESTITRKLKDGKLVVECVMNNVTCTRIYEKVE

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	CHLORIDE ION
Molecular weight formula_weight	35.5 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 3 Entity 3 non-polymer

Description description	DIMETHYL SULFOXIDE
Molecular weight formula_weight	78.1 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 4 Entity 4 non-polymer

Description description	AMMONIUM ION
Molecular weight formula_weight	18.0 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 5 Entity 5 non-polymer

Description description	SULFATE ION
Molecular weight formula_weight	96.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 6 Entity 6 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	111

▼

7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_id	d4lkpa_
Class class	b — All beta proteins
Fold Fold fold	b.60 — Lipocalins
Superfamily Superfamily superfamily	b.60.1 — Lipocalins
Family Family family	b.60.1.2 — Fatty acid binding protein-like

CATH v4.4 (1 domains)

Domain ID domain_id	4lkpA00
Class class	2 — Mainly Beta
Architecture architecture	40 — Beta Barrel
Topology topology	128 — Lipocalin
Homologous superfamily homologous superfamily	20 — Calycin beta-barrel core domain

▶

8. Citations (1)

▶

Unit-cell length a length_a	62.971 Å
Unit-cell length b length_b	62.971 Å
Unit-cell length c length_c	74.498 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	8

Space group space_group	P 43 21 2
Space-group number int_tables_number	96
Crystal system crystal_system	—

Resolution resolution	1.670 Å
Low-resolution limit resolution_low	48.092 Å
R factor r_factor	0.1826
R_work r_work	0.1810
R_free r_free	0.2145

fit	/app/data/saxs_computation/lk/4lkp/4lkp.fit
pddf	/app/data/pr_computation/lk/4lkp/4lkp.pr.out
profile	/app/data/saxs_computation/lk/4lkp/4lkp.dat

Crystal Structure of Apo Human Epidermal Fatty Acid Binding Protein (FABP5)