1jch

Crystal Structure of Colicin E3 in Complex with its Immunity Protein

Method: X-RAY DIFFRACTION Dmax: 182.2 Å Quality: REASONABLE

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

COLICIN E3

Escherichia coli str. K12 substr.

UniProt P00646

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 1–551 Chain C; UniProt 1–551 Not recorded COLICIN E3 IMMUNITY PROTEIN × 2 (P02984) CIT CITRIC ACID × 4 GOL GLYCEROL × 4 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 5.6;277 K;SODIUM CITRATE, CADMIUM ACETATE, ph 5.6, VAPOR DIFFUSION, HANGING DROP at 277K Resolution 3.02 Å R-free 0.283
2 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain A; UniProt 1–551 Not recorded COLICIN E3 IMMUNITY PROTEIN × 1 (P02984) CIT CITRIC ACID × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 5.6;277 K;SODIUM CITRATE, CADMIUM ACETATE, ph 5.6, VAPOR DIFFUSION, HANGING DROP at 277K Resolution 3.02 Å R-free 0.283
3 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain C; UniProt 1–551 Not recorded COLICIN E3 IMMUNITY PROTEIN × 1 (P02984) CIT CITRIC ACID × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 5.6;277 K;SODIUM CITRATE, CADMIUM ACETATE, ph 5.6, VAPOR DIFFUSION, HANGING DROP at 277K Resolution 3.02 Å R-free 0.283

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.

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

View Construct and Data Evidence
UniProt name CEA3_ECOLI
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–551; UniProt 1–551 Author chain C; PDBConstruct 1–551; UniProt 1–551

COLICIN E3 IMMUNITY PROTEIN

Escherichia coli str. K12 substr.

UniProt P02984

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 1–84 Chain D; UniProt 1–84 Not recorded COLICIN E3 × 2 (P00646) CIT CITRIC ACID × 4 GOL GLYCEROL × 4 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 5.6;277 K;SODIUM CITRATE, CADMIUM ACETATE, ph 5.6, VAPOR DIFFUSION, HANGING DROP at 277K Resolution 3.02 Å R-free 0.283
2 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain B; UniProt 1–84 Not recorded COLICIN E3 × 1 (P00646) CIT CITRIC ACID × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 5.6;277 K;SODIUM CITRATE, CADMIUM ACETATE, ph 5.6, VAPOR DIFFUSION, HANGING DROP at 277K Resolution 3.02 Å R-free 0.283
3 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain D; UniProt 1–84 Not recorded COLICIN E3 × 1 (P00646) CIT CITRIC ACID × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 5.6;277 K;SODIUM CITRATE, CADMIUM ACETATE, ph 5.6, VAPOR DIFFUSION, HANGING DROP at 277K Resolution 3.02 Å R-free 0.283

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.

4 other PDB entries and 5 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name IMM3_ECOLI
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 1–84; UniProt 1–84 Author chain D; PDBConstruct 1–84; UniProt 1–84

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 1jch

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id1jch
Deposition date deposition_date2001-06-09
Structure title titleCrystal Structure of Colicin E3 in Complex with its Immunity Protein
Keywords keywords;TRANSLOCATION DOMAIN IS A BETA-JELLYROLL, THE RECEPTOR-BINDING DOMAIN IS A COILED COIL, THE RNASE DOMAIN IS A SIX-STRANDED ANTIPARALLEL BETA-SHEET. THE IMMUNITY PROTEIN IS A FOUR-STRANDED ANTIPARALLEL BETA SHEET FLANKED BY 3 HELICES ON ONE SIDE OF THE SHEET, RIBOSOME INHIBITOR, HYDROLASE ;; RIBOSOME INHIBITOR, HYDROLASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier60.78
Radius of gyration Rg (electron density) rg_electron62.60
Forward intensity I(0) i0232468000.00
Molecular weight molecular_weight122050.0 kDa
Excluded volume excluded_volume150800 ų
Envelope volume envelope_volume250470 ų
Hydration-shell volume shell_volume37310 ų
Envelope diameter envelope_diameter192.7
Shell Rg shell_rg51.54
Envelope Rg envelope_rg60.19
Shape Rg shape_rg62.67
Total Rg total_rg62.06
Total atoms total_atoms8602
Residues n_residues1104
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 dmax182.2
Rg (real space) rg_real61.86
Rg uncertainty (real space) rg_real_error2.42
I(0) (real space) i0_real2.3250e+08
I(0) uncertainty (real space) i0_real_error4.8390e+06
Rg (reciprocal space) rg_reciprocal59.74
I(0) (reciprocal space) i0_reciprocal231600000.0000
Solution quality estimate total_estimate0.6264
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary35.0
Skewness Skewness skewness0.371
Kurtosis Kurtosis kurtosis-1.117
Angular range angular_range— – 0.1300 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha5471000.0000
Real-space data points n_real_points27
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.327; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.160; Smooth: 0.000

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

7. Fold Classification (SCOP + CATH) 14 domains

SCOP 2.08 (8 domains)

Domain ID domain_idd1jcha1
Class classb — All beta proteins
Fold Fold foldb.101 — Ribonuclease domain of colicin E3
Superfamily Superfamily superfamilyb.101.1 — Ribonuclease domain of colicin E3
Family Family familyb.101.1.1 — Ribonuclease domain of colicin E3
Domain ID domain_idd1jcha2
Class classb — All beta proteins
Fold Fold foldb.110 — Cloacin translocation domain
Superfamily Superfamily superfamilyb.110.1 — Cloacin translocation domain
Family Family familyb.110.1.1 — Cloacin translocation domain
Domain ID domain_idd1jcha3
Class classh — Coiled coil proteins
Fold Fold foldh.4 — Antiparallel coiled-coil
Superfamily Superfamily superfamilyh.4.9 — Colicin E3 receptor domain
Family Family familyh.4.9.1 — Colicin E3 receptor domain
Domain ID domain_idd1jchb_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.26 — FKBP-like
Superfamily Superfamily superfamilyd.26.2 — Colicin E3 immunity protein
Family Family familyd.26.2.1 — Colicin E3 immunity protein
Domain ID domain_idd1jchc1
Class classb — All beta proteins
Fold Fold foldb.101 — Ribonuclease domain of colicin E3
Superfamily Superfamily superfamilyb.101.1 — Ribonuclease domain of colicin E3
Family Family familyb.101.1.1 — Ribonuclease domain of colicin E3
Domain ID domain_idd1jchc2
Class classb — All beta proteins
Fold Fold foldb.110 — Cloacin translocation domain
Superfamily Superfamily superfamilyb.110.1 — Cloacin translocation domain
Family Family familyb.110.1.1 — Cloacin translocation domain
Domain ID domain_idd1jchc3
Class classh — Coiled coil proteins
Fold Fold foldh.4 — Antiparallel coiled-coil
Superfamily Superfamily superfamilyh.4.9 — Colicin E3 receptor domain
Family Family familyh.4.9.1 — Colicin E3 receptor domain
Domain ID domain_idd1jchd_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.26 — FKBP-like
Superfamily Superfamily superfamilyd.26.2 — Colicin E3 immunity protein
Family Family familyd.26.2.1 — Colicin E3 immunity protein

CATH v4.4 (6 domains)

Domain ID domain_id1jchA02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology287 — Helix Hairpins
Homologous superfamily homologous superfamily620 — Helix Hairpins
Domain ID domain_id1jchA03
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology380 — Ribonuclease domain of colicin e3 (Residues 456-551)
Homologous superfamily homologous superfamily10 — Colicin E3-like ribonuclease domain
Domain ID domain_id1jchB00
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology50 — Chitinase A; domain 3
Homologous superfamily homologous superfamily20 — Cloacin immunity protein
Domain ID domain_id1jchC02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology287 — Helix Hairpins
Homologous superfamily homologous superfamily620 — Helix Hairpins
Domain ID domain_id1jchC03
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology380 — Ribonuclease domain of colicin e3 (Residues 456-551)
Homologous superfamily homologous superfamily10 — Colicin E3-like ribonuclease domain
Domain ID domain_id1jchD00
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology50 — Chitinase A; domain 3
Homologous superfamily homologous superfamily20 — Cloacin immunity protein

8. Citations (1)

9. Files and Curves (10)