4fw1

Crystal structure of two-domain RSV INTEGRASE covalently linked with DNA

Method: X-RAY DIFFRACTION Dmax: 81.2 Å Quality: GOOD

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

Integrase

Rous sarcoma virus

UniProt P03354

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 1329–1550 Chain B; UniProt 1329–1550 Fragment:UNP residues 1329-1580 Mutation:S124D, C125A, E157C, R166K, F199K No other associated polymer X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 8.5;293 K;5% Ethanol, 10% PEG4,000, 100mM Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K Resolution 1.86 Å R-free 0.222

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.

36 other PDB entries and 41 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name POL_RSVP
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–222; UniProt 1329–1550 Author chain B; PDBConstruct 1–222; UniProt 1329–1550

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 4fw1

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4fw1
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4fw1
Deposition date deposition_date2012-06-29
Structure title titleCrystal structure of two-domain RSV INTEGRASE covalently linked with DNA
Keywords keywordsDNA BINDING PROTEIN; DNA BINDING PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier25.17
Radius of gyration Rg (electron density) rg_electron24.37
Forward intensity I(0) i037758400.00
Molecular weight molecular_weight47638.0 kDa
Excluded volume excluded_volume59949 ų
Envelope volume envelope_volume74156 ų
Hydration-shell volume shell_volume26048 ų
Envelope diameter envelope_diameter86.6
Shell Rg shell_rg30.82
Envelope Rg envelope_rg24.61
Shape Rg shape_rg24.34
Total Rg total_rg25.22
Total atoms total_atoms3361
Residues n_residues426
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 dmax81.2
Rg (real space) rg_real25.19
Rg uncertainty (real space) rg_real_error0.48
I(0) (real space) i0_real3.7760e+07
I(0) uncertainty (real space) i0_real_error5.3170e+05
Rg (reciprocal space) rg_reciprocal25.18
I(0) (reciprocal space) i0_reciprocal37760000.0000
Solution quality estimate total_estimate0.8923
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary29.6
Skewness Skewness skewness0.376
Kurtosis Kurtosis kurtosis-0.370
Angular range angular_range— – 0.3150 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha6888000.0000
Real-space data points n_real_points64
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.877; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.976; Smooth: 0.989

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (2)

7. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd4fw1a1
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.55.3.2 — Retroviral integrase, catalytic domain
Domain ID domain_idd4fw1a2
Class classb — All beta proteins
Fold Fold foldb.34 — SH3-like barrel
Superfamily Superfamily superfamilyb.34.7 — DNA-binding domain of retroviral integrase
Family Family familyb.34.7.0 — automated matches
Domain ID domain_idd4fw1b1
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.55.3.2 — Retroviral integrase, catalytic domain
Domain ID domain_idd4fw1b2
Class classb — All beta proteins
Fold Fold foldb.34 — SH3-like barrel
Superfamily Superfamily superfamilyb.34.7 — DNA-binding domain of retroviral integrase
Family Family familyb.34.7.0 — automated matches

CATH v4.4 (4 domains)

Domain ID domain_id4fw1A01
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_id4fw1A02
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology30 — SH3 type barrels.
Homologous superfamily homologous superfamily10 — Integrase, C-terminal domain superfamily, retroviral
Domain ID domain_id4fw1B01
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_id4fw1B02
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology30 — SH3 type barrels.
Homologous superfamily homologous superfamily10 — Integrase, C-terminal domain superfamily, retroviral

8. Citations (1)

9. Files and Curves (10)