3ey1

A Conformational Transition in the Structure of a 2'-Thiomethyl-Modified DNA Visualized at High Resolution

Method: X-RAY DIFFRACTION Dmax: 58.0 Å Quality: EXCELLENT

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

Ribonuclease H

Bacillus halodurans

UniProt Q9KEI9

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 Homooligomer Protein × 2 DNA 2 PDB declaration: tetrameric(4) Consistent with all polymer counts Chain A; UniProt 59–196 Fragment:RNase H domain, UNP residues 59-196 Mutation:D132N 5'-D(*CP*GP*CP*GP*AP*AP*(USM)P*(USM)P*CP*GP*CP*G)-3' × 2 GOL GLYCEROL × 6 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 4.6;291 K;0.1 M Sodium Acetate (pH 4.6), 0.2 M ammonium sulphate, 25% PEG 4000., VAPOR DIFFUSION, SITTING DROP, temperature 291K Resolution 1.60 Å R-free 0.261

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.

95 other PDB entries and 108 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name RNH1_BACHD
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–138; UniProt 59–196

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 3ey1

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3ey1
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2. Structure Basics 2. Structure Basics

Entry ID entry_id3ey1
Deposition date deposition_date2008-10-17
Structure title titleA Conformational Transition in the Structure of a 2'-Thiomethyl-Modified DNA Visualized at High Resolution
Keywords keywords;RNase H-DNA COMPLEX, PROTEIN-DNA COMPLEX, ENDONUCLEASE, 2'-THIOMETHYL URIDINE RIBONUCLEIC ACID, Hydrolase, Magnesium, Manganese, Metal-binding, Nuclease, HYDROLASE-DNA COMPLEX ;; HYDROLASE/DNA
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier18.72
Radius of gyration Rg (electron density) rg_electron17.26
Forward intensity I(0) i08923390.00
Molecular weight molecular_weight19743.0 kDa
Excluded volume excluded_volume23779 ų
Envelope volume envelope_volume30382 ų
Hydration-shell volume shell_volume15306 ų
Envelope diameter envelope_diameter59.6
Shell Rg shell_rg22.67
Envelope Rg envelope_rg17.65
Shape Rg shape_rg17.16
Total Rg total_rg18.37
Total atoms total_atoms1377
Residues n_residues147
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 dmax58.0
Rg (real space) rg_real18.66
Rg uncertainty (real space) rg_real_error0.28
I(0) (real space) i0_real8.9230e+06
I(0) uncertainty (real space) i0_real_error1.0480e+05
Rg (reciprocal space) rg_reciprocal18.67
I(0) (reciprocal space) i0_reciprocal8923000.0000
Solution quality estimate total_estimate0.9134
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary23.1
Skewness Skewness skewness0.194
Kurtosis Kurtosis kurtosis-0.491
Angular range angular_range— – 0.4250 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha822600.0000
Real-space data points n_real_points74
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.958; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; 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_idd3ey1a_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.55 — Ribonuclease H-like motif
Superfamily Superfamily superfamilyc.55.3 — Ribonuclease H-like
Family Family familyc.55.3.1 — Ribonuclease H

CATH v4.4 (1 domains)

Domain ID domain_id3ey1A00
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily10 — Ribonuclease H-like superfamily/Ribonuclease H

8. Citations (1)

9. Files and Curves (10)