4s18

The X-ray structure of the adduct formed in the reaction between bovine pancreatic ribonuclease and oxaliplatin

Method: X-RAY DIFFRACTION Dmax: 73.5 Å Quality: GOOD

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

Ribonuclease pancreatic

Bos taurus

UniProt P61823

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 monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain A; UniProt 27–150 Not recorded 1PT CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II) × 3 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 5;298 K;RNase A was crystallized at room temperature mixing 1 L solution of protein at 20 mg mL-1 with an equal volume of reservoir solution containing 20% PEG4000 and 20 mM sodium citrate buffer pH 5.0. Two weeks after their appearance, single crystals were soaked for four days in a solution of Oxaliplatin dissolved in 10 L of reservoir. At the final, Pt drugs:protein concentrations were in 10:1 ratio, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 2.27 Å R-free 0.301
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain B; UniProt 27–150 Not recorded 1PT CYCLOHEXANE-1(R),2(R)-DIAMINE-PLATINUM(II) × 3 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 5;298 K;RNase A was crystallized at room temperature mixing 1 L solution of protein at 20 mg mL-1 with an equal volume of reservoir solution containing 20% PEG4000 and 20 mM sodium citrate buffer pH 5.0. Two weeks after their appearance, single crystals were soaked for four days in a solution of Oxaliplatin dissolved in 10 L of reservoir. At the final, Pt drugs:protein concentrations were in 10:1 ratio, VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 2.27 Å R-free 0.301

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.

333 other PDB entries and 494 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name RNAS1_BOVIN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–124; UniProt 27–150 Author chain B; PDBConstruct 1–124; UniProt 27–150

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 4s18

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4s18
Download Download

2. Structure Basics 2. Structure Basics

Entry ID entry_id4s18
Deposition date deposition_date2015-01-09
Structure title titleThe X-ray structure of the adduct formed in the reaction between bovine pancreatic ribonuclease and oxaliplatin
Keywords keywordsribonuclease fold, cleavage of RNA, RNA, bovine pancreas, HYDROLASE; HYDROLASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier21.22
Radius of gyration Rg (electron density) rg_electron20.87
Forward intensity I(0) i018057200.00
Molecular weight molecular_weight27989.0 kDa
Excluded volume excluded_volume32904 ų
Envelope volume envelope_volume40168 ų
Hydration-shell volume shell_volume17282 ų
Envelope diameter envelope_diameter75.7
Shell Rg shell_rg25.82
Envelope Rg envelope_rg21.16
Shape Rg shape_rg20.88
Total Rg total_rg21.46
Total atoms total_atoms1869
Residues n_residues238
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 dmax73.5
Rg (real space) rg_real21.37
Rg uncertainty (real space) rg_real_error0.64
I(0) (real space) i0_real1.8060e+07
I(0) uncertainty (real space) i0_real_error2.5510e+05
Rg (reciprocal space) rg_reciprocal21.35
I(0) (reciprocal space) i0_reciprocal18060000.0000
Solution quality estimate total_estimate0.7753
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks3
Primary peak position r_peak_primary21.6
Skewness Skewness skewness0.529
Kurtosis Kurtosis kurtosis-0.143
Angular range angular_range— – 0.3750 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha2086000.0000
Real-space data points n_real_points69
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.754; Stabil: 0.997; Sysdev: 1.000; Positv: 1.000; Valcen: 0.819; Smooth: 0.000

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd4s18a_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.5 — RNase A-like
Superfamily Superfamily superfamilyd.5.1 — RNase A-like
Family Family familyd.5.1.1 — Ribonuclease A-like
Domain ID domain_idd4s18b_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.5 — RNase A-like
Superfamily Superfamily superfamilyd.5.1 — RNase A-like
Family Family familyd.5.1.1 — Ribonuclease A-like

CATH v4.4 (2 domains)

Domain ID domain_id4s18A00
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology130 — P-30 Protein
Homologous superfamily homologous superfamily10 — Ribonuclease A-like domain
Domain ID domain_id4s18B00
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology130 — P-30 Protein
Homologous superfamily homologous superfamily10 — Ribonuclease A-like domain

8. Citations (1)

9. Files and Curves (10)