1mw8

Crystal Structure of a Complex between H365R mutant of 67 kDA N-terminal fragment of E. coli DNA Topoisomerase I and 5'-ACTTCGGGATG-3'

Method: X-RAY DIFFRACTION Dmax: 99.5 Å Quality: GOOD

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

DNA Topoisomerase I

Escherichia coli

UniProt P06612

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 1 PDB declaration: dimeric(2) Consistent with all polymer counts Chain X; UniProt 1–592 Fragment:67 kDa N-terminal fragment Mutation:H365R 5'-D(*AP*CP*TP*TP*CP*GP*GP*GP*AP*TP*G)-3' × 1 SO4 SULFATE ION × 5 TMP THYMIDINE-5'-PHOSPHATE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 5;287 K;ammonium sulfate, sodium acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 287K Resolution 1.90 Å R-free 0.273

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.

19 other PDB entries and 21 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name TOP1_ECOLI
Isoform
PDB entities 2
Chains and sequence ranges Author chain X; PDBConstruct 1–592; UniProt 1–592

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 1mw8

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1mw8
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1mw8
Deposition date deposition_date2002-09-27
Structure title titleCrystal Structure of a Complex between H365R mutant of 67 kDA N-terminal fragment of E. coli DNA Topoisomerase I and 5'-ACTTCGGGATG-3'
Keywords keywordsDNA TOPOISOMERASE, DECATENASE ENZYME, TOPRIM DOMAIN, ISOMERASE; ISOMERASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier29.94
Radius of gyration Rg (electron density) rg_electron29.72
Forward intensity I(0) i078163500.00
Molecular weight molecular_weight66234.0 kDa
Excluded volume excluded_volume81574 ų
Envelope volume envelope_volume108910 ų
Hydration-shell volume shell_volume31940 ų
Envelope diameter envelope_diameter104.5
Shell Rg shell_rg35.31
Envelope Rg envelope_rg29.71
Shape Rg shape_rg29.74
Total Rg total_rg30.16
Total atoms total_atoms4642
Residues n_residues568
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 dmax99.5
Rg (real space) rg_real30.05
Rg uncertainty (real space) rg_real_error0.82
I(0) (real space) i0_real7.8160e+07
I(0) uncertainty (real space) i0_real_error1.3440e+06
Rg (reciprocal space) rg_reciprocal30.01
I(0) (reciprocal space) i0_reciprocal78160000.0000
Solution quality estimate total_estimate0.8767
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary30.0
Skewness Skewness skewness0.425
Kurtosis Kurtosis kurtosis-0.379
Angular range angular_range— – 0.2650 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha17850000.0000
Real-space data points n_real_points54
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.876; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.929; Smooth: 0.836

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

7. Fold Classification (SCOP + CATH) 5 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd1mw8x_
Class classe — Multi-domain proteins (alpha and beta)
Fold Fold folde.10 — Prokaryotic type I DNA topoisomerase
Superfamily Superfamily superfamilye.10.1 — Prokaryotic type I DNA topoisomerase
Family Family familye.10.1.1 — Prokaryotic type I DNA topoisomerase

CATH v4.4 (4 domains)

Domain ID domain_id1mw8X01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily140
Domain ID domain_id1mw8X02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology460 — Topoisomerase I; domain 2
Homologous superfamily homologous superfamily10 — Topoisomerase I, domain 2
Domain ID domain_id1mw8X03
Class class2 — Mainly Beta
Architecture architecture70 — Distorted Sandwich
Topology topology20 — Topoisomerase I; domain 3
Homologous superfamily homologous superfamily10 — Topoisomerase I, domain 3
Domain ID domain_id1mw8X04
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology290 — Topoisomerase I; domain 4
Homologous superfamily homologous superfamily10 — Topoisomerase I, domain 4

8. Citations (2)

9. Files and Curves (10)