1le5

Crystal structure of a NF-kB heterodimer bound to an IFNb-kB

Method: X-RAY DIFFRACTION Dmax: 130.2 Å Quality: EXCELLENT

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

Nuclear factor NF-kappa-B p65 subunit

Mus musculus

UniProt Q04207

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–DNA Heteromer Protein × 2 DNA 2 PDB declaration: tetrameric(4) Consistent with all polymer counts Chain A; UniProt 20–291 Fragment:p65 RHR 5'-D(*TP*GP*GP*GP*AP*AP*AP*TP*TP*CP*CP*T)-3' × 1 5'-D(*AP*AP*GP*GP*AP*AP*TP*TP*TP*CP*CP*C)-3' × 1 Nuclear factor NF-kappa-B p50 subunit × 1 (P25799) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 5.5;291 K;50 mM Na acatate, 50mM CaCl2, 1.0 mM Na spermine, 8% PEG 3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K Resolution 2.75 Å R-free 0.293
2 Protein–DNA Heteromer Protein × 2 DNA 2 PDB declaration: tetrameric(4) Consistent with all polymer counts Chain E; UniProt 20–291 Fragment:p65 RHR 5'-D(*TP*GP*GP*GP*AP*AP*AP*TP*TP*CP*CP*T)-3' × 1 5'-D(*AP*AP*GP*GP*AP*AP*TP*TP*TP*CP*CP*C)-3' × 1 Nuclear factor NF-kappa-B p50 subunit × 1 (P25799) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 5.5;291 K;50 mM Na acatate, 50mM CaCl2, 1.0 mM Na spermine, 8% PEG 3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K Resolution 2.75 Å R-free 0.293

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.

20 other PDB entries and 24 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name TF65_MOUSE
Isoform
PDB entities 3
Chains and sequence ranges Author chain A; PDBConstruct 3–274; UniProt 20–291 Author chain E; PDBConstruct 3–274; UniProt 20–291

Nuclear factor NF-kappa-B p50 subunit

Mus musculus

UniProt P25799

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–DNA Heteromer Protein × 2 DNA 2 PDB declaration: tetrameric(4) Consistent with all polymer counts Chain B; UniProt 39–350 Fragment:p50 RHR 5'-D(*TP*GP*GP*GP*AP*AP*AP*TP*TP*CP*CP*T)-3' × 1 5'-D(*AP*AP*GP*GP*AP*AP*TP*TP*TP*CP*CP*C)-3' × 1 Nuclear factor NF-kappa-B p65 subunit × 1 (Q04207) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 5.5;291 K;50 mM Na acatate, 50mM CaCl2, 1.0 mM Na spermine, 8% PEG 3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K Resolution 2.75 Å R-free 0.293
2 Protein–DNA Heteromer Protein × 2 DNA 2 PDB declaration: tetrameric(4) Consistent with all polymer counts Chain F; UniProt 39–350 Fragment:p50 RHR 5'-D(*TP*GP*GP*GP*AP*AP*AP*TP*TP*CP*CP*T)-3' × 1 5'-D(*AP*AP*GP*GP*AP*AP*TP*TP*TP*CP*CP*C)-3' × 1 Nuclear factor NF-kappa-B p65 subunit × 1 (Q04207) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 5.5;291 K;50 mM Na acatate, 50mM CaCl2, 1.0 mM Na spermine, 8% PEG 3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K Resolution 2.75 Å R-free 0.293

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.

20 other PDB entries and 25 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name NFKB1_MOUSE
Isoform
PDB entities 4
Chains and sequence ranges Author chain B; PDBConstruct 2–313; UniProt 39–350 Author chain F; PDBConstruct 2–313; UniProt 39–350

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 1le5

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1le5
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1le5
Deposition date deposition_date2002-04-09
Structure title titleCrystal structure of a NF-kB heterodimer bound to an IFNb-kB
Keywords keywordsPROTEIN-DNA COMPLEX, TRANSCRIPTION FACTORS, Rel/NF-kB PROTEIN, TRANSCRIPTION-DNA COMPLEX; TRANSCRIPTION/DNA
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier40.72
Radius of gyration Rg (electron density) rg_electron41.08
Forward intensity I(0) i0374791000.00
Molecular weight molecular_weight146780.0 kDa
Excluded volume excluded_volume178860 ų
Envelope volume envelope_volume254540 ų
Hydration-shell volume shell_volume51291 ų
Envelope diameter envelope_diameter132.3
Shell Rg shell_rg46.91
Envelope Rg envelope_rg40.44
Shape Rg shape_rg41.09
Total Rg total_rg41.35
Total atoms total_atoms10264
Residues n_residues1222
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 dmax130.2
Rg (real space) rg_real40.67
Rg uncertainty (real space) rg_real_error1.19
I(0) (real space) i0_real3.7480e+08
I(0) uncertainty (real space) i0_real_error6.9740e+06
Rg (reciprocal space) rg_reciprocal40.72
I(0) (reciprocal space) i0_reciprocal374800000.0000
Solution quality estimate total_estimate0.9086
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary50.1
Skewness Skewness skewness0.181
Kurtosis Kurtosis kurtosis-0.679
Angular range angular_range— – 0.1950 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha28760000.0000
Real-space data points n_real_points40
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.959; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.985; Smooth: 0.947

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

7. Fold Classification (SCOP + CATH) 18 domains

SCOP 2.08 (10 domains)

Domain ID domain_idd1le5a1
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.18 — E set domains
Family Family familyb.1.18.1 — NF-kappa-B/REL/DORSAL transcription factors, C-terminal domain
Domain ID domain_idd1le5a2
Class classb — All beta proteins
Fold Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
Superfamily Superfamily superfamilyb.2.5 — p53-like transcription factors
Family Family familyb.2.5.3 — Rel/Dorsal transcription factors, DNA-binding domain
Domain ID domain_idd1le5a3
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd1le5b1
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.18 — E set domains
Family Family familyb.1.18.1 — NF-kappa-B/REL/DORSAL transcription factors, C-terminal domain
Domain ID domain_idd1le5b2
Class classb — All beta proteins
Fold Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
Superfamily Superfamily superfamilyb.2.5 — p53-like transcription factors
Family Family familyb.2.5.3 — Rel/Dorsal transcription factors, DNA-binding domain
Domain ID domain_idd1le5e1
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.18 — E set domains
Family Family familyb.1.18.1 — NF-kappa-B/REL/DORSAL transcription factors, C-terminal domain
Domain ID domain_idd1le5e2
Class classb — All beta proteins
Fold Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
Superfamily Superfamily superfamilyb.2.5 — p53-like transcription factors
Family Family familyb.2.5.3 — Rel/Dorsal transcription factors, DNA-binding domain
Domain ID domain_idd1le5e3
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd1le5f1
Class classb — All beta proteins
Fold Fold foldb.1 — Immunoglobulin-like beta-sandwich
Superfamily Superfamily superfamilyb.1.18 — E set domains
Family Family familyb.1.18.1 — NF-kappa-B/REL/DORSAL transcription factors, C-terminal domain
Domain ID domain_idd1le5f2
Class classb — All beta proteins
Fold Fold foldb.2 — Common fold of diphtheria toxin/transcription factors/cytochrome f
Superfamily Superfamily superfamilyb.2.5 — p53-like transcription factors
Family Family familyb.2.5.3 — Rel/Dorsal transcription factors, DNA-binding domain

CATH v4.4 (8 domains)

Domain ID domain_id1le5A01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily340 — Rel homology domain (RHD), DNA-binding domain
Domain ID domain_id1le5A02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id1le5B01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily340 — Rel homology domain (RHD), DNA-binding domain
Domain ID domain_id1le5B02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id1le5E01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily340 — Rel homology domain (RHD), DNA-binding domain
Domain ID domain_id1le5E02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins
Domain ID domain_id1le5F01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily340 — Rel homology domain (RHD), DNA-binding domain
Domain ID domain_id1le5F02
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology40 — Immunoglobulin-like
Homologous superfamily homologous superfamily10 — Immunoglobulins

8. Citations (1)

9. Files and Curves (10)