2jbg

crystal structure of the mutant N560A of the nuclease domain of ColE7 in complex with Im7

Method: X-RAY DIFFRACTION Dmax: 81.7 Å Quality: REASONABLE

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

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 × 8 PDB declaration: octameric(8) Consistent with protein copy count Chain A; UniProt 1–87 Chain C; UniProt 1–87 Not recorded COLICIN E7 × 4 (Q47112) ZN ZINC ION × 4 SO4 SULFATE ION × 4 X-RAY DIFFRACTION X-ray crystallization conditions:pH 4.6;20 % W/V POLYETHYLENE GLYCOL MONOMETHYL ETHER 2000, 0.2 M AMMONIUM SULFATE, AND 0.1 M SODIUM ACETATE TRIHYDRATE AT PH 4.6 Resolution 2.20 Å R-free 0.249

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 Author chain C; PDBConstruct 1–87; UniProt 1–87

COLICIN E7

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 × 8 PDB declaration: octameric(8) Consistent with protein copy count Chain B; UniProt 446–576 Chain D; UniProt 446–576 Fragment:NUCLEASE DOMAIN, RESIDUES 446-576 Mutation:YES COLICIN-E7 IMMUNITY PROTEIN × 4 (Q03708) ZN ZINC ION × 4 SO4 SULFATE ION × 4 X-RAY DIFFRACTION X-ray crystallization conditions:pH 4.6;20 % W/V POLYETHYLENE GLYCOL MONOMETHYL ETHER 2000, 0.2 M AMMONIUM SULFATE, AND 0.1 M SODIUM ACETATE TRIHYDRATE AT PH 4.6 Resolution 2.20 Å R-free 0.249

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 1–131; UniProt 446–576 Author chain D; PDBConstruct 1–131; UniProt 446–576

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 2jbg

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 2jbg
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2. Structure Basics 2. Structure Basics

Entry ID entry_id2jbg
Deposition date deposition_date2006-12-07
Structure title titlecrystal structure of the mutant N560A of the nuclease domain of ColE7 in complex with Im7
Keywords keywords;HYDROLASE/INHIBITOR, HYDROLASE-INHIBITOR COMPLEX, ZINC, TOXIN, PLASMID, NUCLEASE, HYDROLASE, ANTIBIOTIC, H-N-H MOTIF, BACTERIOCIN, ENDONUCLEASE, METAL-BINDING, ANTIMICROBIAL, DNA HYDROLYSIS, BACTERIOCIN IMMUNITY, HIS METAL FINGER MOTIF ;; HYDROLASE/INHIBITOR
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier24.72
Radius of gyration Rg (electron density) rg_electron23.78
Forward intensity I(0) i040935000.00
Molecular weight molecular_weight47798.0 kDa
Excluded volume excluded_volume59283 ų
Envelope volume envelope_volume72197 ų
Hydration-shell volume shell_volume25867 ų
Envelope diameter envelope_diameter83.8
Shell Rg shell_rg30.65
Envelope Rg envelope_rg23.93
Shape Rg shape_rg23.75
Total Rg total_rg24.72
Total atoms total_atoms3362
Residues n_residues416
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 dmax81.7
Rg (real space) rg_real25.45
Rg uncertainty (real space) rg_real_error0.21
I(0) (real space) i0_real4.0660e+07
I(0) uncertainty (real space) i0_real_error4.1120e+05
Rg (reciprocal space) rg_reciprocal24.75
I(0) (reciprocal space) i0_reciprocal40930000.0000
Solution quality estimate total_estimate0.6844
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary25.9
Skewness Skewness skewness0.473
Kurtosis Kurtosis kurtosis-0.190
Angular range angular_range— – 0.3200 −1
Current regularization parameter α current_alpha5.3700
Highest regularization parameter α highest_alpha9636000.0000
Real-space data points n_real_points64
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.873; Stabil: 0.910; Sysdev: 0.000; Positv: 1.000; Valcen: 0.961; Smooth: 0.627

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_idd2jbga_
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_idd2jbgb1
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
Domain ID domain_idd2jbgc_
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_idd2jbgd_
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 (4 domains)

Domain ID domain_id2jbgA00
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_id2jbgB00
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
Domain ID domain_id2jbgC00
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_id2jbgD00
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)