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1a8y

CRYSTAL STRUCTURE OF CALSEQUESTRIN FROM RABBIT SKELETAL MUSCLE SARCOPLASMIC RETICULUM AT 2.4 A RESOLUTION

Method: X-RAY DIFFRACTION Dmax: 70.8 Å Quality: REASONABLE
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1. Protein Identity and Related Structures Protein Identity & Related Structures

CALSEQUESTRIN

OrganismNot specified

UniProt P07221

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 homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain A； UniProt 29–395 Not recorded No other associated polymer X-RAY DIFFRACTION X-ray crystallization conditions：pH 6.5；pH 6.5 Resolution 2.40 Å R-free 0.242

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 1A8Y Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
3TRP Crystal structure of recombinant rabbit skeletal calsequestrin Deposited 2011-09-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 29–381（353 aa）
Not recorded MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 3 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 CA CALCIUM ION × 6 NA SODIUM ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.88 Å R-free 0.208
3TRP Crystal structure of recombinant rabbit skeletal calsequestrin Deposited 2011-09-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 29–381（353 aa）
Not recorded MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 6 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 CA CALCIUM ION × 12 NA SODIUM ION × 4 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.88 Å R-free 0.208
3TRQ Crystal structure of native rabbit skeletal calsequestrin Deposited 2011-09-09 Different construct 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 29–381（353 aa）
Not recorded MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 CA CALCIUM ION × 6 NA SODIUM ION × 3 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.76 Å R-free 0.213
3TRQ Crystal structure of native rabbit skeletal calsequestrin Deposited 2011-09-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 29–381（353 aa）
Not recorded MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 4 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4 CA CALCIUM ION × 12 NA SODIUM ION × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.76 Å R-free 0.213
3US3 Recombinant rabbit skeletal calsequestrin-MPD complex Deposited 2011-11-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 29–395（367 aa）
Not recorded MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 6 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 2 CA CALCIUM ION × 8 NA SODIUM ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.74 Å R-free 0.232
3V1W Molecular Basis for Multiple Ligand Binding of Calsequestrin and Potential Inhibition by Caffeine and Gallocatecin Deposited 2011-12-10 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 29–395（367 aa）
Not recorded MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 CA CALCIUM ION × 4 NA SODIUM ION × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.91 Å R-free 0.222
3V1W Molecular Basis for Multiple Ligand Binding of Calsequestrin and Potential Inhibition by Caffeine and Gallocatecin Deposited 2011-12-10 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 29–395（367 aa）
Not recorded MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 2 CA CALCIUM ION × 8 NA SODIUM ION × 4 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.91 Å R-free 0.222

4 other PDB entries and 7 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CASQ1_RABIT
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–367； UniProt 29–395

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 1a8y

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1a8y
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1a8y
Deposition date deposition_date1998-03-31
Structure title titleCRYSTAL STRUCTURE OF CALSEQUESTRIN FROM RABBIT SKELETAL MUSCLE SARCOPLASMIC RETICULUM AT 2.4 A RESOLUTION
Keywords keywordsCALSEQUESTRIN, CALCIUM-BINDING PROTEIN, SARCOPLASMIC RETICULUM, RABBIT SKELETAL MUSCLE; CALCIUM-BINDING 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_guinier23.61 Å
Radius of gyration Rg (electron density) rg_electron22.41 Å
Forward intensity I(0) i025004400.00
Molecular weight molecular_weight38970.0 kDa
Excluded volume excluded_volume48988 ų
Envelope volume envelope_volume62016 ų
Hydration-shell volume shell_volume23129 ų
Envelope diameter envelope_diameter71.9 Å
Shell Rg shell_rg28.93 Å
Envelope Rg envelope_rg22.53 Å
Shape Rg shape_rg22.37 Å
Total Rg total_rg23.41 Å
Total atoms total_atoms2760
Residues n_residues338
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 dmax70.8 Å
Rg (real space) rg_real23.49 Å
Rg uncertainty (real space) rg_real_error0.39 Å
I(0) (real space) i0_real2.5000e+07
I(0) uncertainty (real space) i0_real_error3.2000e+05
Rg (reciprocal space) rg_reciprocal23.52 Å
I(0) (reciprocal space) i0_reciprocal25000000.0000
Solution quality estimate total_estimate0.7206
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary26.6 Å
Skewness Skewness skewness0.113
Kurtosis Kurtosis kurtosis-0.653
Angular range angular_range— – 0.3350 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha5260000.0000
Real-space data points n_real_points65
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.970; Stabil: 1.000; Sysdev: 0.154; Positv: 1.000; Valcen: 0.998; Smooth: 0.994
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (2)

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7. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (3 domains)

Domain ID domain_idd1a8ya1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.47 — Thioredoxin fold
Superfamily Superfamily superfamilyc.47.1 — Thioredoxin-like
Family Family familyc.47.1.3 — Calsequestrin
Domain ID domain_idd1a8ya2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.47 — Thioredoxin fold
Superfamily Superfamily superfamilyc.47.1 — Thioredoxin-like
Family Family familyc.47.1.3 — Calsequestrin
Domain ID domain_idd1a8ya3
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.47 — Thioredoxin fold
Superfamily Superfamily superfamilyc.47.1 — Thioredoxin-like
Family Family familyc.47.1.3 — Calsequestrin

CATH v4.4 (3 domains)

Domain ID domain_id1a8yA01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology30 — Glutaredoxin
Homologous superfamily homologous superfamily10 — Glutaredoxin
Domain ID domain_id1a8yA02
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology30 — Glutaredoxin
Homologous superfamily homologous superfamily10 — Glutaredoxin
Domain ID domain_id1a8yA03
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology30 — Glutaredoxin
Homologous superfamily homologous superfamily10 — Glutaredoxin
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8. Citations (1)

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9. Files and Curves (10)