4mjp

E. coli sliding clamp in complex with (R)-Vedaprofen

Method: X-RAY DIFFRACTION Dmax: 97.2 Å Quality: EXCELLENT

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

DNA polymerase III subunit beta

Escherichia coli

UniProt P0A988

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 homooligomer Homooligomer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain A; UniProt 1–366 Chain B; UniProt 1–366 Not recorded PEG DI(HYDROXYETHYL)ETHER × 2 PGE TRIETHYLENE GLYCOL × 2 CA CALCIUM ION × 1 CL CHLORIDE ION × 3 27O (2R)-2-(4-cyclohexylnaphthalen-1-yl)propanoic acid × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.5;285 K;100mM MES, 100-150mM CaCl2, 25-30%(v/v) PEG400, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 285K Resolution 1.85 Å R-free 0.237

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.

53 other PDB entries and 60 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name DPO3B_ECOLI
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–366; UniProt 1–366 Author chain B; PDBConstruct 1–366; UniProt 1–366

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 4mjp

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id4mjp
Deposition date deposition_date2013-09-04
Structure title titleE. coli sliding clamp in complex with (R)-Vedaprofen
Keywords keywordsPolIII beta, sliding clamp, DnaN, TRANSFERASE-TRANSFERASE INHIBITOR complex; TRANSFERASE/TRANSFERASE INHIBITOR
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier33.00
Radius of gyration Rg (electron density) rg_electron31.86
Forward intensity I(0) i0103724000.00
Molecular weight molecular_weight80225.0 kDa
Excluded volume excluded_volume100300 ų
Envelope volume envelope_volume138570 ų
Hydration-shell volume shell_volume35471 ų
Envelope diameter envelope_diameter95.2
Shell Rg shell_rg40.16
Envelope Rg envelope_rg30.40
Shape Rg shape_rg31.88
Total Rg total_rg32.53
Total atoms total_atoms5617
Residues n_residues720
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 dmax97.2
Rg (real space) rg_real32.79
Rg uncertainty (real space) rg_real_error0.62
I(0) (real space) i0_real1.0370e+08
I(0) uncertainty (real space) i0_real_error1.6190e+06
Rg (reciprocal space) rg_reciprocal32.89
I(0) (reciprocal space) i0_reciprocal103700000.0000
Solution quality estimate total_estimate0.9008
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary50.6
Skewness Skewness skewness-0.038
Kurtosis Kurtosis kurtosis-0.852
Angular range angular_range— – 0.2400 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha81310000.0000
Real-space data points n_real_points49
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.920; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.947

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (7)

7. Fold Classification (SCOP + CATH) 12 domains

SCOP 2.08 (6 domains)

Domain ID domain_idd4mjpa1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.131 — DNA clamp
Superfamily Superfamily superfamilyd.131.1 — DNA clamp
Family Family familyd.131.1.1 — DNA polymerase III, beta subunit
Domain ID domain_idd4mjpa2
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.131 — DNA clamp
Superfamily Superfamily superfamilyd.131.1 — DNA clamp
Family Family familyd.131.1.1 — DNA polymerase III, beta subunit
Domain ID domain_idd4mjpa3
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.131 — DNA clamp
Superfamily Superfamily superfamilyd.131.1 — DNA clamp
Family Family familyd.131.1.1 — DNA polymerase III, beta subunit
Domain ID domain_idd4mjpb1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.131 — DNA clamp
Superfamily Superfamily superfamilyd.131.1 — DNA clamp
Family Family familyd.131.1.1 — DNA polymerase III, beta subunit
Domain ID domain_idd4mjpb2
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.131 — DNA clamp
Superfamily Superfamily superfamilyd.131.1 — DNA clamp
Family Family familyd.131.1.1 — DNA polymerase III, beta subunit
Domain ID domain_idd4mjpb3
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.131 — DNA clamp
Superfamily Superfamily superfamilyd.131.1 — DNA clamp
Family Family familyd.131.1.1 — DNA polymerase III, beta subunit

CATH v4.4 (6 domains)

Domain ID domain_id4mjpA01
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology150 — DNA Polymerase III; Chain A, domain 2
Homologous superfamily homologous superfamily10 — DNA Polymerase III, subunit A, domain 2
Domain ID domain_id4mjpA02
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology150 — DNA Polymerase III; Chain A, domain 2
Homologous superfamily homologous superfamily10 — DNA Polymerase III, subunit A, domain 2
Domain ID domain_id4mjpA03
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology150 — DNA Polymerase III; Chain A, domain 2
Homologous superfamily homologous superfamily10 — DNA Polymerase III, subunit A, domain 2
Domain ID domain_id4mjpB01
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology150 — DNA Polymerase III; Chain A, domain 2
Homologous superfamily homologous superfamily10 — DNA Polymerase III, subunit A, domain 2
Domain ID domain_id4mjpB02
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology150 — DNA Polymerase III; Chain A, domain 2
Homologous superfamily homologous superfamily10 — DNA Polymerase III, subunit A, domain 2
Domain ID domain_id4mjpB03
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology150 — DNA Polymerase III; Chain A, domain 2
Homologous superfamily homologous superfamily10 — DNA Polymerase III, subunit A, domain 2

8. Citations (1)

9. Files and Curves (10)