4huf

Structure of 5-chlorouracil modified A:U base pair

Method: X-RAY DIFFRACTION Dmax: 79.2 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 Monomer Protein × 1 DNA 2 PDB declaration: trimeric(3) Consistent with all polymer counts Chain A; UniProt 61–194 Mutation:D132N ;DNA (5'-D(*CP*GP*CP*GP*AP*AP*(UCL)P*TP*CP*GP*CP*G)-3') ; × 2 GOL GLYCEROL × 2 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.5;277 K;0.2 M magnesium acetate, 0.1 M sodium cacodylate (pH 6.5) and 20% (w/v) PEG 8000 , VAPOR DIFFUSION, HANGING DROP, temperature 277K Resolution 1.69 Å R-free 0.228
2 Protein–DNA Monomer Protein × 1 DNA 2 PDB declaration: trimeric(3) Consistent with all polymer counts Chain B; UniProt 61–194 Mutation:D132N ;DNA (5'-D(*CP*GP*CP*GP*AP*AP*(UCL)P*TP*CP*GP*CP*G)-3') ; × 2 MG MAGNESIUM ION × 1 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.5;277 K;0.2 M magnesium acetate, 0.1 M sodium cacodylate (pH 6.5) and 20% (w/v) PEG 8000 , VAPOR DIFFUSION, HANGING DROP, temperature 277K Resolution 1.69 Å R-free 0.228

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 107 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 1–134; UniProt 61–194 Author chain B; PDBConstruct 1–134; UniProt 61–194

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 4huf

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4huf
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4huf
Deposition date deposition_date2012-11-02
Structure title titleStructure of 5-chlorouracil modified A:U base pair
Keywords keywords;5-chloro-2'-deoxyuridine, W-C base pair, Wobble base pair, double helix, Watson-Crick base pairing pattern, 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_guinier25.14
Radius of gyration Rg (electron density) rg_electron23.87
Forward intensity I(0) i043781900.00
Molecular weight molecular_weight43380.0 kDa
Excluded volume excluded_volume50921 ų
Envelope volume envelope_volume66802 ų
Hydration-shell volume shell_volume24174 ų
Envelope diameter envelope_diameter81.8
Shell Rg shell_rg30.14
Envelope Rg envelope_rg23.79
Shape Rg shape_rg23.80
Total Rg total_rg24.71
Total atoms total_atoms3006
Residues n_residues302
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 dmax79.2
Rg (real space) rg_real25.07
Rg uncertainty (real space) rg_real_error0.59
I(0) (real space) i0_real4.3780e+07
I(0) uncertainty (real space) i0_real_error6.2780e+05
Rg (reciprocal space) rg_reciprocal25.09
I(0) (reciprocal space) i0_reciprocal43780000.0000
Solution quality estimate total_estimate0.9136
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary30.2
Skewness Skewness skewness0.145
Kurtosis Kurtosis kurtosis-0.641
Angular range angular_range— – 0.3150 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha2565000.0000
Real-space data points n_real_points64
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.963; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.996

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (6)

7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd4hufa_
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
Domain ID domain_idd4hufb_
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 (2 domains)

Domain ID domain_id4hufA00
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily10 — Ribonuclease H-like superfamily/Ribonuclease H
Domain ID domain_id4hufB00
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)