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5dqf

Horse Serum Albumin (ESA) in complex with Cetirizine

Method: X-RAY DIFFRACTION Dmax: 87.9 Å Quality: REASONABLE
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Serum albumin

OrganismNot specified

UniProt P35747

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 28–607 Mutation：R561A PG4 TETRAETHYLENE GLYCOL × 7 SO4 SULFATE ION × 4 LCR (2-{4-[(R)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid × 1 CZE (2-{4-[(S)-(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid × 1 CL CHLORIDE ION × 4 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；289 K；1 ul of 30 mg/mL protein in 10 mM Tris pH 7.5, 150 mM NaCl was mixed with 1ul of the well condition: 100 mM Tris pH 7.5, 1800 mM (NH4)2SO4, 87.5 mM NaBr, 2.5% w/v PEG 8K Resolution 2.15 Å R-free 0.241

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 5DQF Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
3V08 Crystal structure of Equine Serum Albumin Deposited 2011-12-07 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 25–607（583 aa）
Not recorded BR BROMIDE ION × 11 SO4 SULFATE ION × 6 EDO 1,2-ETHANEDIOL × 1 UNX UNKNOWN LIGAND × 12 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；289 K；1.9 M NH4 sulfate, 2.5% PEG8000, 0.1 M NaBr, 0.1 M Tris HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 2.45 Å R-free 0.245
4F5T Crystal Structure of Equine Serum Albumin Deposited 2012-05-13 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 25–607（583 aa） Fragment：UNP residues 25-607
Not recorded ACT ACETATE ION × 6 SO4 SULFATE ION × 4 GOL GLYCEROL × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；1.7 M ammonium sulfate, 0.1M acetate buffer pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.32 Å R-free 0.259
4F5U Crystal structure of Equine Serum Albumin at 2.04 resolution Deposited 2012-05-13 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 25–607（583 aa） Fragment：UNP residues 25-607
Not recorded MLI MALONATE ION × 6 SIN SUCCINIC ACID × 1 LMR (2S)-2-hydroxybutanedioic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；80% Tacsimate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.04 Å R-free 0.243
4J2V Crystal Structure of Equine Serum Albumin in complex with 3,5-diiodosalicylic acid Deposited 2013-02-05 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 25–607（583 aa） Fragment：UNP residues 25-607
Not recorded DIU 2-HYDROXY-3,5-DIIODO-BENZOIC ACID × 4 MLI MALONATE ION × 7 FMT FORMIC ACID × 8 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；85% Tacsimate, cocrystallization with 3,5-diiodosalicylic acid, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.12 Å R-free 0.238
4OT2 Crystal Structure of Equine Serum Albumin in complex with Naproxen Deposited 2014-02-13 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 25–607（583 aa） Fragment：UNP residues 25-607
Not recorded NPS (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid × 2 SIN SUCCINIC ACID × 1 ACT ACETATE ION × 2 MLI MALONATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；293 K；1.6 M Ammonium sulfate, 0.1 M acetate buffer pH 4.5, cocrystallization with Naproxen, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.42 Å R-free 0.247
5HOZ Crystal structure of Equine Serum Albumin (ESA) at pH 9.0 Deposited 2016-01-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 25–607（583 aa）
Mutation：R561A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 9；289 K；1 ul of 32 mg/ml protein in 10 mM Tris pH 7.5, 150 mM NaCl was mixed with 1 ul of the well condition (100 mM Tris, 2.4 M Ammonium phosphate, final pH 9.0) and equilibrated against well solution on 15-well Crystallization Plate (Qiagen)
Resolution 2.15 Å R-free 0.239
5IIH Crystal structure of Equine Serum Albumin in the presence of 2.5 mM zinc at pH 7.4 Deposited 2016-03-01 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 25–607（583 aa） Fragment：residues 25-607
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；1 ul of 30 mg/ml protein in 10 mM Tris pH 7.5 and 150 mM NaCl buffer was mixed with 1 ul of the well condition (0.2 M Li2SO4, 0.1 M Tris:HCl pH 7.4, 2.0 M (NH4)2SO4, 5 mM ZnCl2) and equilibrated against well solution in 15 Well Crystallization Plate (Qiagen)
Resolution 2.40 Å R-free 0.235
5IIU Crystal structure of Equine Serum Albumin in the presence of 10 mM zinc at pH 6.9 Deposited 2016-03-01 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 25–607（583 aa） Fragment：residues 25-607
Not recorded ZN ZINC ION × 10 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.9；289 K；1 ul of 30 mg/ml protein in 10 mM Tris pH 7.5 and 150 mM NaCl buffer was mixed with 1 ul of the well condition (0.2 M Li2SO4, 0.1 M Tris:HCl, 2.0 M (NH4)2SO4, 5 mM ZnCl2, final pH 6.9) and equilibrated against well solution in 15 Well Crystallization Plate (Qiagen). Crystals were soaked with 50 mM ZnCl2 in 100 mM Tris, final pH 6.9, to final concentration of 10 mM
Resolution 2.30 Å R-free 0.239
5IIX Crystal structure of Equine Serum Albumin in the presence of 15 mM zinc at pH 6.5 Deposited 2016-03-01 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 25–607（583 aa） Fragment：residues 25-607
Not recorded ZN ZINC ION × 11 UNL UNKNOWN LIGAND × 2 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；289 K；1 ul of 30 mg/ml protein in 10 mM Tris pH 7.5 and 150 mM NaCl buffer was mixed with 1 ul of the well condition (0.2 M Li2SO4, 0.1 M Tris:HCl, 2.0 M (NH4)2SO4, 5 mM ZnCl2, final pH 6.5) and equilibrated against well solution in 15 Well Crystallization Plate (Qiagen). Crystals were soaked with 50 mM ZnCl2 in 100 mM Tris, final pH 6.5, to final concentration of 15 mM
Resolution 2.20 Å R-free 0.228
5IJ5 Crystal structure of Equine Serum Albumin in the presence of 50 mM zinc at pH 4.5 Deposited 2016-03-01 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 25–607（583 aa） Fragment：residues 25-607
Not recorded ZN ZINC ION × 15 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；289 K；1 ul of 30 mg/ml protein in 10 mM Tris pH 7.5 and 150 mM NaCl buffer was mixed with 1 ul of the well condition (2.0 M (NH4)2SO4, 0.1 M Na acetate, 0.1 M ZnCl2, final pH 4.5) and equilibrated against well solution in 15 Well Crystallization Plate (Qiagen)
Resolution 2.55 Å R-free 0.253
5IJE Crystal structure of Equine Serum Albumin in the presence of 30 mM zinc at pH 7.4 Deposited 2016-03-01 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 25–607（583 aa） Fragment：residues 25-607
Not recorded ZN ZINC ION × 13 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；1 ul of 30 mg/ml protein in 10 mM Tris pH 7.5 and 150 mM NaCl buffer was mixed with 1 ul of the well condition (0.2 M Li2SO4, 0.1 M Tris:HCl, 2.0 M (NH4)2SO4, 5 mM ZnCl2, final pH 7.4) and equilibrated against well solution in 15 Well Crystallization Plate (Qiagen). Crystals were soaked with 100 mM ZnCl2 in 100 mM Tris, final pH 7.4, to final concentration of 100 mM
Resolution 2.40 Å R-free 0.255
5V0V Crystal structure of Equine Serum Albumin complex with etodolac Deposited 2017-02-28 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 25–607（583 aa） Fragment：UNP residues 25-607
Not recorded TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 4 SO4 SULFATE ION × 7 8QP [(1S)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid × 2 8QS [(1R)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；1 ul of 34 mg/ml protein in 10 mM Tris pH 7.5 and 150 mM NaCl buffer was mixed with 1 ul of the well condition (0.2 M Li2SO4, 0.1 M Tris:HCl, 2.0 M (NH4)2SO4 final pH 7.4) and equilibrated against well solution in 15 Well Crystallization Plate (Qiagen). Crystals were soaked with 10 mM Etodolac.
Resolution 2.45 Å R-free 0.238
6CI6 Crystal structure of equine serum albumin in complex with nabumetone Deposited 2018-02-23 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 25–607（583 aa）
Not recorded SO4 SULFATE ION × 5 NBO nabumetone × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 KNA nonanoic acid × 1 UNX UNKNOWN LIGAND × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；289 K；1 ul of 34 mg/ml protein in 10 mM Tris pH 7.4 and 150 mM NaCl buffer was mixed with 1 ul of the well condition (0.2 M Li2SO4, 0.1 M Tris:HCl, 2.2 M (NH4)2SO4 final pH 7.4) and equilibrated against well solution in 15 Well Crystallization Plate (Qiagen). Crystals were soaked with 10 mM nabumetone
Resolution 2.80 Å R-free 0.256
6MDQ Crystal structure of equine serum albumin in complex with testosterone Deposited 2018-09-05 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 25–607（583 aa）
Not recorded FLC CITRATE ANION × 3 TES TESTOSTERONE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；289 K；0.2 ul of 15 mg/ml protein was mixed with 0.2 ul of the well condition (1.8 M ammonium dihydrogen citrate, pH 7.0) and equilibrated against well solution in 96-Well sitting drop crystallization plate (Swissci). Testosterone powder was added to the crystallization drop
Resolution 2.15 Å R-free 0.226
6U4R Crystal structure of Equine Serum Albumin complex with ketoprofen Deposited 2019-08-26 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 25–607（583 aa）
Not recorded 9KL (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid × 3 KNA nonanoic acid × 1 UNX UNKNOWN LIGAND × 3 UNL UNKNOWN LIGAND × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；298 K；1 ul of 35 mg/ml protein in 10 mM Tris pH 7.5 and 150 mM NaCl buffer was mixed with 1 ul of the well condition (0.2 M Li2SO4, 0.1 M Tris:HCl, 2.0 M (NH4)2SO4 final pH 7.4) and equilibrated against well solution in 15 Well Crystallization Plate (Qiagen). Crystals were soaked with 3mM ketoprofen.
Resolution 2.45 Å R-free 0.233
6U4X Crystal structure of Equine Serum Albumin complex with ibuprofen Deposited 2019-08-26 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 25–607（583 aa）
Not recorded UNL UNKNOWN LIGAND × 1 UNX UNKNOWN LIGAND × 9 IBP IBUPROFEN × 2 SO4 SULFATE ION × 10 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；1 ul of 36 mg/ml protein in 10 mM Tris pH 7.5 and 150 mM NaCl buffer was mixed with 1 ul of the well condition (0.2 M Li2SO4, 0.1 M Tris:HCl, 2.4 M (NH4)2SO4 final pH 7.4) and equilibrated against well solution in 15 Well Crystallization Plate (Qiagen). Ibuprofen powder was added to the crystallization drop.
Resolution 2.25 Å R-free 0.238
6U5A Crystal structure of Equine Serum Albumin complex with 6-MNA Deposited 2019-08-27 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 25–607（583 aa）
Not recorded UNX UNKNOWN LIGAND × 7 PWY (6-methoxynaphthalen-2-yl)acetic acid × 3 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；1 ul of 35 mg/ml protein in 10 mM Tris pH 7.5 and 150 mM NaCl buffer was mixed with 1 ul of the well condition (0.2 M Li2SO4, 0.1 M Tris:HCl, 2.0 M (NH4)2SO4 final pH 7.4) and equilibrated against well solution in 15 Well Crystallization Plate (Qiagen). Crystals were soaked with 3 mM 6-MNA.
Resolution 2.65 Å R-free 0.256
6XK0 Albumin-dexamethasone complex Deposited 2020-06-24 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 25–607（583 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) DEX DEXAMETHASONE × 1 FLC CITRATE ANION × 1 MYR MYRISTIC ACID × 1 UNX UNKNOWN LIGAND × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；289 K；Prior to crystallization, 15 mg/ml protein was incubated with dexamethasone powder (10-fold molar excess) for 60 min at room temperature, and the mixture with the powder in suspension was used for crystallization. 1 ul of this mixture was mixed with 1 ul of the well condition (1.8 M ammonium dihydrogen citrate, pH 7.0) and equilibrated against the well solution in 15-Well hanging drop crystallization plate (Qiagen, EasyXtal). 1:1 mixture of Paratone N and mineral oil was used as a cryoprotectant
Resolution 2.40 Å R-free 0.249
7MBL Crystal structure of Equine Serum Albumin in complex with Cobalt (II) Deposited 2021-03-31 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 25–607（583 aa）
Not recorded CO COBALT (II) ION × 5 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions COUNTER-DIFFUSION；pH 7.4；291 K；Protein: 1 uL of 34 mg/mL ESA dissolved in 10 mM Tris (pH 7.4) and 150 mM NaCl. Precipitant: 1 uL of 0.2 M lithium sulfate, 2.0 M ammonium sulfate, 0.1 M Tris pH 7.4. 15-Well hanging drop crystallization plate (Qiagen, EasyXtal). 3.3 uL of 50 mM cobalt (II) chloride dissolved in the reservoir solution were added directly to the 2 uL crystallization drop containing crystals to reach a final cobalt concentration of 31 mM and then incubated for a few hours before harvesting. Paratone was used as a cryoprotectant
Resolution 2.70 Å R-free 0.289
9S42 Complex of Equine Serum Albumin with Hydrolyzed Ampicillin Deposited 2025-07-25 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 25–607（583 aa）
Not recorded ZZ7 (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid × 1 FMT FORMIC ACID × 3 LMR (2S)-2-hydroxybutanedioic acid × 1 SIN SUCCINIC ACID × 1 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；291 K；80% v/v Tacsimate, pH 6.0
Resolution 2.32 Å R-free 0.246
9S43 Complex of Equine Serum Albumin with Oxacillin Deposited 2025-07-25 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 25–607（583 aa）
Not recorded A1JLX (2~{R},5~{R},6~{S})-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonylamino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid × 1 LMR (2S)-2-hydroxybutanedioic acid × 2 ACT ACETATE ION × 3 MLI MALONATE ION × 9 FMT FORMIC ACID × 4 SIN SUCCINIC ACID × 3 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；2.0 M ammonium sulfate, 0.1 M acetate buffer at pH 5.0 and then crystal was cryoprotected by 85% Tacsimate at pH 6.0
Resolution 2.03 Å R-free 0.206
9S73 Complex of Equine Serum Albumin with Ampicillin Deposited 2025-08-02 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 25–607（583 aa）
Not recorded ACT ACETATE ION × 1 FMT FORMIC ACID × 9 AIC (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID × 1 MLI MALONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；291 K；2.0 M ammonium sulfate, 0.1 M acetate buffer pH 5.0
Resolution 2.50 Å R-free 0.263
9ZMD Equine Serum Albumin with Copper(II) Deposited 2025-12-10 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 25–607（583 aa）
Not recorded CU COPPER (II) ION × 6 SO4 SULFATE ION × 7 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；291.15 K；0.2 M lithium sulfate, 0.1 M Tris-HCl, pH 7.4, 2.2 M ammonium sulfate, 5 mM copper(II) chloride mixed 1:1 with 36 mg/mL protein, 10 mM Tris-HCl, 150 mM sodium chloride
Resolution 2.65 Å R-free 0.251

23 other PDB entries and 23 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name ALBU_HORSE
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–580； UniProt 28–607

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 5dqf

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 5dqf
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2. Structure Basics 2. Structure Basics

Entry ID entry_id5dqf
Deposition date deposition_date2015-09-14
Structure title titleHorse Serum Albumin (ESA) in complex with Cetirizine
Keywords keywords;albumin, cetirizine, ESA, NYSGRC, Structural Genomics, PSI-Biology, New York Structural Genomics Research Consortium, TRANSPORT PROTEIN ;; TRANSPORT PROTEIN
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier27.49 Å
Radius of gyration Rg (electron density) rg_electron26.51 Å
Forward intensity I(0) i072973600.00
Molecular weight molecular_weight65957.0 kDa
Excluded volume excluded_volume82117 ų
Envelope volume envelope_volume100530 ų
Hydration-shell volume shell_volume31887 ų
Envelope diameter envelope_diameter92.6 Å
Shell Rg shell_rg33.45 Å
Envelope Rg envelope_rg26.63 Å
Shape Rg shape_rg26.50 Å
Total Rg total_rg27.25 Å
Total atoms total_atoms4612
Residues n_residues580
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 dmax87.9 Å
Rg (real space) rg_real27.40 Å
Rg uncertainty (real space) rg_real_error0.52 Å
I(0) (real space) i0_real7.2970e+07
I(0) uncertainty (real space) i0_real_error9.1850e+05
Rg (reciprocal space) rg_reciprocal27.43 Å
I(0) (reciprocal space) i0_reciprocal72980000.0000
Solution quality estimate total_estimate0.7016
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary33.3 Å
Skewness Skewness skewness0.227
Kurtosis Kurtosis kurtosis-0.438
Angular range angular_range— – 0.2900 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha11050000.0000
Real-space data points n_real_points59
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.920; Stabil: 1.000; Sysdev: 0.127; Positv: 1.000; Valcen: 0.999; Smooth: 0.975
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (7)

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7. Fold Classification (SCOP + CATH) 9 domains

SCOP 2.08 (3 domains)

Domain ID domain_idd5dqfa1
Class classa — All alpha proteins
Fold Fold folda.126 — Serum albumin-like
Superfamily Superfamily superfamilya.126.1 — Serum albumin-like
Family Family familya.126.1.0 — automated matches
Domain ID domain_idd5dqfa2
Class classa — All alpha proteins
Fold Fold folda.126 — Serum albumin-like
Superfamily Superfamily superfamilya.126.1 — Serum albumin-like
Family Family familya.126.1.0 — automated matches
Domain ID domain_idd5dqfa3
Class classa — All alpha proteins
Fold Fold folda.126 — Serum albumin-like
Superfamily Superfamily superfamilya.126.1 — Serum albumin-like
Family Family familya.126.1.0 — automated matches

CATH v4.4 (6 domains)

Domain ID domain_id5dqfA01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology246 — Serum Albumin; Chain A, Domain 1
Homologous superfamily homologous superfamily10 —
Domain ID domain_id5dqfA02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology246 — Serum Albumin; Chain A, Domain 1
Homologous superfamily homologous superfamily10 —
Domain ID domain_id5dqfA03
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology246 — Serum Albumin; Chain A, Domain 1
Homologous superfamily homologous superfamily10 —
Domain ID domain_id5dqfA04
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology246 — Serum Albumin; Chain A, Domain 1
Homologous superfamily homologous superfamily10 —
Domain ID domain_id5dqfA05
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology246 — Serum Albumin; Chain A, Domain 1
Homologous superfamily homologous superfamily10 —
Domain ID domain_id5dqfA06
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology246 — Serum Albumin; Chain A, Domain 1
Homologous superfamily homologous superfamily10 —
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8. Citations (1)

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9. Files and Curves (10)