1nd0

CATIONIC CYCLIZATION ANTIBODY 4C6 COMPLEX WITH TRANSITION STATE ANALOG

Method: X-RAY DIFFRACTION Dmax: 182.5 Å Quality: GOOD

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

IMMUNOGLOBULIN IGG2A

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 × 4 PDB declaration: tetrameric(4) Consistent with protein copy count Chain A; UniProt 21–239 Chain C; UniProt 21–239 Fragment:IMMUNOGLOBULIN FAB FRAGMENT, light chain IMMUNOGLOBULIN IGG2A × 2 (P01865) DP4 (1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:EVAPORATION;pH 5.5;295 K;ammonium sulfate, dioxane, tri-sodium citrate dihydrate, pH 5.5, evaporation, temperature 295K Resolution 2.45 Å R-free 0.286
2 Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric(4) Consistent with protein copy count Chain E; UniProt 21–239 Chain G; UniProt 21–239 Fragment:IMMUNOGLOBULIN FAB FRAGMENT, light chain IMMUNOGLOBULIN IGG2A × 2 (P01865) DP4 (1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:EVAPORATION;pH 5.5;295 K;ammonium sulfate, dioxane, tri-sodium citrate dihydrate, pH 5.5, evaporation, temperature 295K Resolution 2.45 Å R-free 0.286
3 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain A; UniProt 21–239 Fragment:IMMUNOGLOBULIN FAB FRAGMENT, light chain IMMUNOGLOBULIN IGG2A × 1 (P01865) DP4 (1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:EVAPORATION;pH 5.5;295 K;ammonium sulfate, dioxane, tri-sodium citrate dihydrate, pH 5.5, evaporation, temperature 295K Resolution 2.45 Å R-free 0.286
4 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain C; UniProt 21–239 Fragment:IMMUNOGLOBULIN FAB FRAGMENT, light chain IMMUNOGLOBULIN IGG2A × 1 (P01865) DP4 (1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:EVAPORATION;pH 5.5;295 K;ammonium sulfate, dioxane, tri-sodium citrate dihydrate, pH 5.5, evaporation, temperature 295K Resolution 2.45 Å R-free 0.286
5 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain E; UniProt 21–239 Fragment:IMMUNOGLOBULIN FAB FRAGMENT, light chain IMMUNOGLOBULIN IGG2A × 1 (P01865) DP4 (1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:EVAPORATION;pH 5.5;295 K;ammonium sulfate, dioxane, tri-sodium citrate dihydrate, pH 5.5, evaporation, temperature 295K Resolution 2.45 Å R-free 0.286
6 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain G; UniProt 21–239 Fragment:IMMUNOGLOBULIN FAB FRAGMENT, light chain IMMUNOGLOBULIN IGG2A × 1 (P01865) DP4 (1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:EVAPORATION;pH 5.5;295 K;ammonium sulfate, dioxane, tri-sodium citrate dihydrate, pH 5.5, evaporation, temperature 295K Resolution 2.45 Å R-free 0.286

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 14 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 A; PDBConstruct 1–219; UniProt 21–239 Author chain C; PDBConstruct 1–219; UniProt 21–239 Author chain E; PDBConstruct 1–219; UniProt 21–239 Author chain G; PDBConstruct 1–219; UniProt 21–239

IMMUNOGLOBULIN IGG2A

OrganismNot specified

UniProt P01865

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 × 4 PDB declaration: tetrameric(4) Consistent with protein copy count Chain B; UniProt 1–102 Chain D; UniProt 1–102 Fragment:IMMUNOGLOBULIN FAB FRAGMENT, heavy chain IMMUNOGLOBULIN IGG2A × 2 (Q8K0F8) DP4 (1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:EVAPORATION;pH 5.5;295 K;ammonium sulfate, dioxane, tri-sodium citrate dihydrate, pH 5.5, evaporation, temperature 295K Resolution 2.45 Å R-free 0.286
2 Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric(4) Consistent with protein copy count Chain F; UniProt 1–102 Chain H; UniProt 1–102 Fragment:IMMUNOGLOBULIN FAB FRAGMENT, heavy chain IMMUNOGLOBULIN IGG2A × 2 (Q8K0F8) DP4 (1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:EVAPORATION;pH 5.5;295 K;ammonium sulfate, dioxane, tri-sodium citrate dihydrate, pH 5.5, evaporation, temperature 295K Resolution 2.45 Å R-free 0.286
3 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain B; UniProt 1–102 Fragment:IMMUNOGLOBULIN FAB FRAGMENT, heavy chain IMMUNOGLOBULIN IGG2A × 1 (Q8K0F8) DP4 (1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:EVAPORATION;pH 5.5;295 K;ammonium sulfate, dioxane, tri-sodium citrate dihydrate, pH 5.5, evaporation, temperature 295K Resolution 2.45 Å R-free 0.286
4 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain D; UniProt 1–102 Fragment:IMMUNOGLOBULIN FAB FRAGMENT, heavy chain IMMUNOGLOBULIN IGG2A × 1 (Q8K0F8) DP4 (1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:EVAPORATION;pH 5.5;295 K;ammonium sulfate, dioxane, tri-sodium citrate dihydrate, pH 5.5, evaporation, temperature 295K Resolution 2.45 Å R-free 0.286
5 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain F; UniProt 1–102 Fragment:IMMUNOGLOBULIN FAB FRAGMENT, heavy chain IMMUNOGLOBULIN IGG2A × 1 (Q8K0F8) DP4 (1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:EVAPORATION;pH 5.5;295 K;ammonium sulfate, dioxane, tri-sodium citrate dihydrate, pH 5.5, evaporation, temperature 295K Resolution 2.45 Å R-free 0.286
6 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain H; UniProt 1–102 Fragment:IMMUNOGLOBULIN FAB FRAGMENT, heavy chain IMMUNOGLOBULIN IGG2A × 1 (Q8K0F8) DP4 (1s,4s)-4-[dimethyl(phenyl)silyl]-1-methylpiperidine 1-oxide × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:EVAPORATION;pH 5.5;295 K;ammonium sulfate, dioxane, tri-sodium citrate dihydrate, pH 5.5, evaporation, temperature 295K Resolution 2.45 Å R-free 0.286

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.

31 other PDB entries and 36 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name GCAM_MOUSE
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 121–222; UniProt 1–102 Author chain D; PDBConstruct 121–222; UniProt 1–102 Author chain F; PDBConstruct 121–222; UniProt 1–102 Author chain H; PDBConstruct 121–222; UniProt 1–102

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 1nd0

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1nd0
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1nd0
Deposition date deposition_date2002-12-05
Structure title titleCATIONIC CYCLIZATION ANTIBODY 4C6 COMPLEX WITH TRANSITION STATE ANALOG
Keywords keywordsImmunoglobulin, catalytic antibody, cationic cyclization reaction, 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_guinier57.95
Radius of gyration Rg (electron density) rg_electron58.55
Forward intensity I(0) i0546894000.00
Molecular weight molecular_weight193370.0 kDa
Excluded volume excluded_volume241070 ų
Envelope volume envelope_volume365020 ų
Hydration-shell volume shell_volume55011 ų
Envelope diameter envelope_diameter197.5
Shell Rg shell_rg54.29
Envelope Rg envelope_rg57.00
Shape Rg shape_rg58.54
Total Rg total_rg58.44
Total atoms total_atoms13608
Residues n_residues1720
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 dmax182.5
Rg (real space) rg_real58.52
Rg uncertainty (real space) rg_real_error2.01
I(0) (real space) i0_real5.4690e+08
I(0) uncertainty (real space) i0_real_error1.1570e+07
Rg (reciprocal space) rg_reciprocal57.43
I(0) (reciprocal space) i0_reciprocal545900000.0000
Solution quality estimate total_estimate0.8087
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary47.3
Skewness Skewness skewness0.425
Kurtosis Kurtosis kurtosis-0.646
Angular range angular_range— – 0.1350 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha17060000.0000
Real-space data points n_real_points28
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.908; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.779; Smooth: 0.006

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

7. Fold Classification (SCOP + CATH) 32 domains

SCOP 2.08 (16 domains)

Domain ID domain_idd1nd0a1
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_idd1nd0a2
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_idd1nd0b1
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_idd1nd0b2
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_idd1nd0c1
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_idd1nd0c2
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_idd1nd0d1
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_idd1nd0d2
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_idd1nd0e1
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_idd1nd0e2
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_idd1nd0f1
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_idd1nd0f2
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_idd1nd0g1
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_idd1nd0g2
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_idd1nd0h1
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_idd1nd0h2
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 (16 domains)

Domain ID domain_id1nd0A01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id1nd0A02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id1nd0B01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id1nd0B02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id1nd0C01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id1nd0C02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id1nd0D01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id1nd0D02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id1nd0E01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id1nd0E02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id1nd0F01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id1nd0F02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id1nd0G01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id1nd0G02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id1nd0H01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id1nd0H02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins

8. Citations (1)

9. Files and Curves (10)