4mxf

X-ray structure of the adduct between bovine pancreatic ribonuclease and Auoxo6, a dinuclear gold(III) complex with -dioxo bridges linking the two metal centers

Method: X-RAY DIFFRACTION Dmax: 74.5 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 AU GOLD ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 5;298 K;20% PEG4000 and 20 mM sodium citrate buffer pH 5.0. Crystals appeared within 7 days. After two weeks, crystals were soaked in a solution of the gold-based drug dissolved in DMSO and in 50 mM sodium citrate buffer pH 5.0. At the final, concentrations of metallodrugs and protein were in at least 1:1 ratio., VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 2.25 Å R-free 0.268
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain B; UniProt 27–150 Not recorded No other associated polymer X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 5;298 K;20% PEG4000 and 20 mM sodium citrate buffer pH 5.0. Crystals appeared within 7 days. After two weeks, crystals were soaked in a solution of the gold-based drug dissolved in DMSO and in 50 mM sodium citrate buffer pH 5.0. At the final, concentrations of metallodrugs and protein were in at least 1:1 ratio., VAPOR DIFFUSION, HANGING DROP, temperature 298K Resolution 2.25 Å R-free 0.268

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 4mxf

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4mxf
Download Download

2. Structure Basics 2. Structure Basics

Entry ID entry_id4mxf
Deposition date deposition_date2013-09-26
Structure title titleX-ray structure of the adduct between bovine pancreatic ribonuclease and Auoxo6, a dinuclear gold(III) complex with -dioxo bridges linking the two metal centers
Keywords keywordsribonuclease fold, hydrolase, RNA; HYDROLASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier21.29
Radius of gyration Rg (electron density) rg_electron20.88
Forward intensity I(0) i016444900.00
Molecular weight molecular_weight27586.0 kDa
Excluded volume excluded_volume33216 ų
Envelope volume envelope_volume40958 ų
Hydration-shell volume shell_volume17563 ų
Envelope diameter envelope_diameter74.8
Shell Rg shell_rg25.95
Envelope Rg envelope_rg21.13
Shape Rg shape_rg20.88
Total Rg total_rg21.53
Total atoms total_atoms1903
Residues n_residues248
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 dmax74.5
Rg (real space) rg_real21.43
Rg uncertainty (real space) rg_real_error0.61
I(0) (real space) i0_real1.6440e+07
I(0) uncertainty (real space) i0_real_error2.2360e+05
Rg (reciprocal space) rg_reciprocal21.41
I(0) (reciprocal space) i0_reciprocal16440000.0000
Solution quality estimate total_estimate0.7747
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary21.9
Skewness Skewness skewness0.508
Kurtosis Kurtosis kurtosis-0.202
Angular range angular_range— – 0.3750 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha3128000.0000
Real-space data points n_real_points69
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.760; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.786; 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_idd4mxfa_
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_idd4mxfb_
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_id4mxfA00
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology130 — P-30 Protein
Homologous superfamily homologous superfamily10 — Ribonuclease A-like domain
Domain ID domain_id4mxfB00
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)