4rf0

Crystal structure of the Middle-East respiratory syndrome coronavirus papain-like protease in complex with ubiquitin (space group P6522)

Method: X-RAY DIFFRACTION Dmax: 82.8 Å Quality: REASONABLE

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

ORF1ab protein

Human betacoronavirus 2c Jordan-N3/2012

UniProt M4STU1

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain A; UniProt 1480–1803 Fragment:UNP residues 1480-1803 Ubiquitin-60S ribosomal protein L40 × 1 (P62987) ZN ZINC ION × 1 SO4 SULFATE ION × 9 3CN 3-AMINOPROPANE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 8.5;293 K;1.80 M ammonium sulphate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K Resolution 2.80 Å R-free 0.281

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.

2 other PDB entries and 2 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name M4STU1_9BETC
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–324; UniProt 1480–1803

Ubiquitin-60S ribosomal protein L40

Homo sapiens

UniProt P62987

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain B; UniProt 1–75 Fragment:UNP residues 1-75 ORF1ab protein × 1 (M4STU1) ZN ZINC ION × 1 SO4 SULFATE ION × 9 3CN 3-AMINOPROPANE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 8.5;293 K;1.80 M ammonium sulphate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K Resolution 2.80 Å R-free 0.281

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.

153 other PDB entries and 174 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name RL40_HUMAN
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 1–75; UniProt 1–75

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 4rf0

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4rf0
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4rf0
Deposition date deposition_date2014-09-24
Structure title titleCrystal structure of the Middle-East respiratory syndrome coronavirus papain-like protease in complex with ubiquitin (space group P6522)
Keywords keywordszinc ribbon, deubiquitinase, papain-like protease, PROTEIN BINDING; PROTEIN BINDING
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier24.02
Radius of gyration Rg (electron density) rg_electron23.15
Forward intensity I(0) i034086300.00
Molecular weight molecular_weight43979.0 kDa
Excluded volume excluded_volume54631 ų
Envelope volume envelope_volume65631 ų
Hydration-shell volume shell_volume24391 ų
Envelope diameter envelope_diameter83.3
Shell Rg shell_rg29.34
Envelope Rg envelope_rg23.49
Shape Rg shape_rg23.15
Total Rg total_rg23.89
Total atoms total_atoms3070
Residues n_residues393
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 dmax82.8
Rg (real space) rg_real24.04
Rg uncertainty (real space) rg_real_error0.64
I(0) (real space) i0_real3.4090e+07
I(0) uncertainty (real space) i0_real_error4.9820e+05
Rg (reciprocal space) rg_reciprocal24.04
I(0) (reciprocal space) i0_reciprocal34090000.0000
Solution quality estimate total_estimate0.6617
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary28.5
Skewness Skewness skewness0.415
Kurtosis Kurtosis kurtosis-0.157
Angular range angular_range— – 0.3300 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha6878000.0000
Real-space data points n_real_points65
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.795; Stabil: 1.000; Sysdev: 0.101; Positv: 1.000; Valcen: 0.947; Smooth: 0.965

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (6)

7. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (3 domains)

Domain ID domain_idd4rf0a1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.15 — beta-Grasp (ubiquitin-like)
Superfamily Superfamily superfamilyd.15.1 — Ubiquitin-like
Family Family familyd.15.1.0 — automated matches
Domain ID domain_idd4rf0a2
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.3 — Cysteine proteinases
Superfamily Superfamily superfamilyd.3.1 — Cysteine proteinases
Family Family familyd.3.1.23 — Papain-like viral protease catalytic domain
Domain ID domain_idd4rf0b_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.15 — beta-Grasp (ubiquitin-like)
Superfamily Superfamily superfamilyd.15.1 — Ubiquitin-like
Family Family familyd.15.1.1 — Ubiquitin-related

CATH v4.4 (3 domains)

Domain ID domain_id4rf0A01
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology20 — Ubiquitin-like (UB roll)
Homologous superfamily homologous superfamily540 — Papain-like viral protease, N-terminal domain
Domain ID domain_id4rf0A02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology8 — Helicase, Ruva Protein; domain 3
Homologous superfamily homologous superfamily1190 — Papain-like viral protease, thumb domain
Domain ID domain_id4rf0A03
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology120 — Jelly Rolls
Homologous superfamily homologous superfamily1680

8. Citations (1)

9. Files and Curves (10)