4ot2

Crystal Structure of Equine Serum Albumin in complex with Naproxen

Method: X-RAY DIFFRACTION Dmax: 89.8 Å Quality: GOOD

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 25–607 Fragment:UNP residues 25-607 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

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.

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 1–583; UniProt 25–607

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 4ot2

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4ot2
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4ot2
Deposition date deposition_date2014-02-13
Structure title titleCrystal Structure of Equine Serum Albumin in complex with Naproxen
Keywords keywordsHelical, Three-domain protein, Serum Albumin Superfamily, TRANSPORT PROTEIN, Fatty acids, metabolites and drugs, Naproxen, Plasma; TRANSPORT PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier27.43
Radius of gyration Rg (electron density) rg_electron26.46
Forward intensity I(0) i073086400.00
Molecular weight molecular_weight66489.0 kDa
Excluded volume excluded_volume83047 ų
Envelope volume envelope_volume100460 ų
Hydration-shell volume shell_volume31983 ų
Envelope diameter envelope_diameter93.5
Shell Rg shell_rg33.46
Envelope Rg envelope_rg26.53
Shape Rg shape_rg26.44
Total Rg total_rg27.23
Total atoms total_atoms4662
Residues n_residues580
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 −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

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

Maximum dimension Dmax dmax89.8
Rg (real space) rg_real27.34
Rg uncertainty (real space) rg_real_error0.58
I(0) (real space) i0_real7.3090e+07
I(0) uncertainty (real space) i0_real_error9.6890e+05
Rg (reciprocal space) rg_reciprocal27.37
I(0) (reciprocal space) i0_reciprocal73090000.0000
Solution quality estimate total_estimate0.8984
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary34.1
Skewness Skewness skewness0.227
Kurtosis Kurtosis kurtosis-0.445
Angular range angular_range— – 0.2900 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha11220000.0000
Real-space data points n_real_points59
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.894; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.993

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (6)

7. Fold Classification (SCOP + CATH) 9 domains

SCOP 2.08 (3 domains)

Domain ID domain_idd4ot2a1
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_idd4ot2a2
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_idd4ot2a3
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_id4ot2A01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology246 — Serum Albumin; Chain A, Domain 1
Homologous superfamily homologous superfamily10
Domain ID domain_id4ot2A02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology246 — Serum Albumin; Chain A, Domain 1
Homologous superfamily homologous superfamily10
Domain ID domain_id4ot2A03
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology246 — Serum Albumin; Chain A, Domain 1
Homologous superfamily homologous superfamily10
Domain ID domain_id4ot2A04
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology246 — Serum Albumin; Chain A, Domain 1
Homologous superfamily homologous superfamily10
Domain ID domain_id4ot2A05
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology246 — Serum Albumin; Chain A, Domain 1
Homologous superfamily homologous superfamily10
Domain ID domain_id4ot2A06
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology246 — Serum Albumin; Chain A, Domain 1
Homologous superfamily homologous superfamily10

8. Citations (1)

9. Files and Curves (10)