2ivh

Crystal structure of the nuclease domain of ColE7 (H545Q mutant) in complex with an 18-bp duplex DNA

Method: X-RAY DIFFRACTION Dmax: 68.0 Å Quality: GOOD

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

COLCIN-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–DNA Monomer Protein × 1 DNA 2 PDB declaration: trimeric(3) Consistent with all polymer counts Chain A; UniProt 449–576 Fragment:NUCLEASE DOMAIN, RESIDUES 449-576 Mutation:YES ;5'-D(*GP*GP*AP*AP*TP*TP*CP*GP*AP*TP *CP*GP*AP*AP*TP*TP*CP*C)-3' ; × 2 ZN ZINC ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 4.8;HANGING DROP VAPOR DIFFUSION METHOD BY MIXING 1 MICRO L COMPLEX SOLUTION AND 1 MICRO L RESERVOIR SOLUTION CONSISTING OF 40 % MPD, 0.4 M AMMONIUM FORMATE AND 0.1 M ACETATE BUFFER (PH4.8) AT ROOM TEMPERATURE., pH 4.80 Resolution 2.80 Å R-free 0.265

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 1
Chains and sequence ranges Author chain A; PDBConstruct 1–128; UniProt 449–576

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 2ivh

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id2ivh
Deposition date deposition_date2006-06-13
Structure title titleCrystal structure of the nuclease domain of ColE7 (H545Q mutant) in complex with an 18-bp duplex DNA
Keywords keywordsBACTERIOCIN, ENDONUCLEASE, ANTIMICROBIAL, METAL-BINDING, HYDROLASE-DNA COMPLEX, ZINC, PLASMID, NUCLEASE, HYDROLASE, ANTIBIOTIC; HYDROLASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier20.07
Radius of gyration Rg (electron density) rg_electron19.18
Forward intensity I(0) i018779000.00
Molecular weight molecular_weight25370.0 kDa
Excluded volume excluded_volume28521 ų
Envelope volume envelope_volume36942 ų
Hydration-shell volume shell_volume16946 ų
Envelope diameter envelope_diameter69.0
Shell Rg shell_rg24.56
Envelope Rg envelope_rg19.62
Shape Rg shape_rg19.10
Total Rg total_rg19.99
Total atoms total_atoms1739
Residues n_residues160
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 dmax68.0
Rg (real space) rg_real20.11
Rg uncertainty (real space) rg_real_error0.42
I(0) (real space) i0_real1.8780e+07
I(0) uncertainty (real space) i0_real_error2.2280e+05
Rg (reciprocal space) rg_reciprocal20.10
I(0) (reciprocal space) i0_reciprocal18780000.0000
Solution quality estimate total_estimate0.8819
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary24.3
Skewness Skewness skewness0.413
Kurtosis Kurtosis kurtosis-0.186
Angular range angular_range— – 0.3950 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha1845000.0000
Real-space data points n_real_points71
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.833; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.967; Smooth: 0.996

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd2ivha_
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 (1 domains)

Domain ID domain_id2ivhA00
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)