1ujz

Crystal structure of the E7_C/Im7_C complex; a computationally designed interface between the colicin E7 DNase and the Im7 Immunity protein

Method: X-RAY DIFFRACTION Dmax: 70.9 Å Quality: REASONABLE

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

Designed Colicin E7 immunity protein

Escherichia coli

UniProt Q03708

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 A; UniProt 1–87 Mutation:D35Y, Designed Colicin E7 DNase × 1 (Q47112) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 4.6;298 K;PEGMME 2000, ammonium sulfate, Sodium Acetate, Glycerol, DMSO, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 2.10 Å R-free 0.270

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.

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

View Construct and Data Evidence
UniProt name IMM7_ECOLI
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–87; UniProt 1–87

Designed Colicin E7 DNase

Escherichia coli

UniProt Q47112

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 B; UniProt 446–573 Fragment:residues 446-573 Mutation:K528Q, T539R, H569A Designed Colicin E7 immunity protein × 1 (Q03708) X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 4.6;298 K;PEGMME 2000, ammonium sulfate, Sodium Acetate, Glycerol, DMSO, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 2.10 Å R-free 0.270

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.

16 other PDB entries and 22 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CEA7_ECOLI
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 1–128; UniProt 446–573

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 1ujz

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id1ujz
Deposition date deposition_date2003-08-13
Structure title titleCrystal structure of the E7_C/Im7_C complex; a computationally designed interface between the colicin E7 DNase and the Im7 Immunity protein
Keywords keywordscomputational design, redesigned protein-protein interface, specificity, molecular recognition, protein complex, 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_guinier19.70
Radius of gyration Rg (electron density) rg_electron18.95
Forward intensity I(0) i011366000.00
Molecular weight molecular_weight24492.0 kDa
Excluded volume excluded_volume30447 ų
Envelope volume envelope_volume36077 ų
Hydration-shell volume shell_volume16721 ų
Envelope diameter envelope_diameter67.1
Shell Rg shell_rg24.22
Envelope Rg envelope_rg19.15
Shape Rg shape_rg18.92
Total Rg total_rg19.84
Total atoms total_atoms1728
Residues n_residues214
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 dmax70.9
Rg (real space) rg_real19.77
Rg uncertainty (real space) rg_real_error0.63
I(0) (real space) i0_real1.1370e+07
I(0) uncertainty (real space) i0_real_error1.5640e+05
Rg (reciprocal space) rg_reciprocal19.76
I(0) (reciprocal space) i0_reciprocal11370000.0000
Solution quality estimate total_estimate0.7458
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary22.0
Skewness Skewness skewness0.480
Kurtosis Kurtosis kurtosis-0.161
Angular range angular_range— – 0.4050 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha2670000.0000
Real-space data points n_real_points72
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.616; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.844; Smooth: 0.000

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd1ujza_
Class classa — All alpha proteins
Fold Fold folda.28 — Acyl carrier protein-like
Superfamily Superfamily superfamilya.28.2 — Colicin E immunity proteins
Family Family familya.28.2.1 — Colicin E immunity proteins
Domain ID domain_idd1ujzb_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.4 — His-Me finger endonucleases
Superfamily Superfamily superfamilyd.4.1 — His-Me finger endonucleases
Family Family familyd.4.1.1 — HNH-motif

CATH v4.4 (2 domains)

Domain ID domain_id1ujzA00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology1200 — Non-ribosomal Peptide Synthetase Peptidyl Carrier Protein; Chain A
Homologous superfamily homologous superfamily20 — Colicin E immunity protein
Domain ID domain_id1ujzB00
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology540 — Colicin E7 immunity protein; Chain B, fragment: Endonuclease domain
Homologous superfamily homologous superfamily10 — Colicin/pyocin, DNase domain

8. Citations (1)

9. Files and Curves (10)