1kn2

CATALYTIC ANTIBODY D2.3 COMPLEX

Method: X-RAY DIFFRACTION Dmax: 83.2 Å Quality: EXCELLENT

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

IG ANTIBODY D2.3 (LIGHT CHAIN)

OrganismNot specified

UniProt Q8K0F8

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain L; UniProt 21–239 Not recorded IG ANTIBODY D2.3 (HEAVY CHAIN) × 1 ZN ZINC ION × 7 PNE PARA-NITROPHENYL PHOSPHONOBUTANOYL L-ALANINE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7;PEG600, ZnSO4, cacodylate, pH 7.00, VAPOR DIFFUSION, HANGING DROP Resolution 1.90 Å R-free 0.238
2 Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric(4) Consistent with protein copy count Chain L; UniProt 21–239 Not recorded IG ANTIBODY D2.3 (HEAVY CHAIN) × 2 ZN ZINC ION × 14 PNE PARA-NITROPHENYL PHOSPHONOBUTANOYL L-ALANINE × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7;PEG600, ZnSO4, cacodylate, pH 7.00, VAPOR DIFFUSION, HANGING DROP Resolution 1.90 Å R-free 0.238
3 Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric(4) Consistent with protein copy count Chain L; UniProt 21–239 Not recorded IG ANTIBODY D2.3 (HEAVY CHAIN) × 2 ZN ZINC ION × 14 PNE PARA-NITROPHENYL PHOSPHONOBUTANOYL L-ALANINE × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7;PEG600, ZnSO4, cacodylate, pH 7.00, VAPOR DIFFUSION, HANGING DROP Resolution 1.90 Å R-free 0.238
4 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain L; UniProt 21–239 Not recorded IG ANTIBODY D2.3 (HEAVY CHAIN) × 1 ZN ZINC ION × 7 PNE PARA-NITROPHENYL PHOSPHONOBUTANOYL L-ALANINE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7;PEG600, ZnSO4, cacodylate, pH 7.00, VAPOR DIFFUSION, HANGING DROP Resolution 1.90 Å R-free 0.238

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.

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

View Construct and Data Evidence
UniProt name Q8K0F8_MOUSE
Isoform
PDB entities 1
Chains and sequence ranges Author chain L; PDBConstruct 1–219; UniProt 21–239

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 1kn2

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1kn2
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1kn2
Deposition date deposition_date2001-12-18
Structure title titleCATALYTIC ANTIBODY D2.3 COMPLEX
Keywords keywordsABZYME, TRANSITION STATE ANALOG, IMMUNE SYSTEM; IMMUNE SYSTEM
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier26.02
Radius of gyration Rg (electron density) rg_electron24.91
Forward intensity I(0) i041247400.00
Molecular weight molecular_weight48985.0 kDa
Excluded volume excluded_volume60811 ų
Envelope volume envelope_volume74792 ų
Hydration-shell volume shell_volume25323 ų
Envelope diameter envelope_diameter87.5
Shell Rg shell_rg31.79
Envelope Rg envelope_rg24.54
Shape Rg shape_rg24.79
Total Rg total_rg26.01
Total atoms total_atoms3420
Residues n_residues426
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 dmax83.2
Rg (real space) rg_real26.02
Rg uncertainty (real space) rg_real_error0.56
I(0) (real space) i0_real4.1250e+07
I(0) uncertainty (real space) i0_real_error5.4860e+05
Rg (reciprocal space) rg_reciprocal26.02
I(0) (reciprocal space) i0_reciprocal41250000.0000
Solution quality estimate total_estimate0.9068
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary28.6
Skewness Skewness skewness0.297
Kurtosis Kurtosis kurtosis-0.497
Angular range angular_range— – 0.3050 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha7846000.0000
Real-space data points n_real_points62
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.941; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.981; Smooth: 0.980

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

7. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd1kn2h1
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.1 — Immunoglobulin
Family Family familyb.1.1.1 — V set domains (antibody variable domain-like)
Domain ID domain_idd1kn2h2
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.1 — Immunoglobulin
Family Family familyb.1.1.2 — C1 set domains (antibody constant domain-like)
Domain ID domain_idd1kn2l1
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.1 — Immunoglobulin
Family Family familyb.1.1.1 — V set domains (antibody variable domain-like)
Domain ID domain_idd1kn2l2
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.1 — Immunoglobulin
Family Family familyb.1.1.2 — C1 set domains (antibody constant domain-like)

CATH v4.4 (4 domains)

Domain ID domain_id1kn2H01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id1kn2H02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id1kn2L01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id1kn2L02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins

8. Citations (1)

9. Files and Curves (10)