1lwt

Crystal structure of the intein homing endonuclease PI-SceI bound to its substrate DNA (Ca2+ free)

Method: X-RAY DIFFRACTION Dmax: 112.2 Å Quality: REASONABLE

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

ENDONUCLEASE PI-SCEI

Saccharomyces cerevisiae

UniProt P17255

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–DNA Monomer Protein × 1 DNA 2 PDB declaration: trimeric(3) Consistent with all polymer counts Chain A; UniProt 284–737 Non-standard monomer:Yes (specific site not provided by mmCIF) PI-SceI DNA substrate top strand × 1 PI-SceI DNA substrate bottom strand × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 5.8;291 K;PEG 3550, na citrate, ammonium acetate, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 291K Resolution 3.20 Å R-free 0.287

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.

15 other PDB entries and 19 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name VATA_YEAST
Isoform
PDB entities 3
Chains and sequence ranges Author chain A; PDBConstruct 1–454; UniProt 284–737

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 1lwt

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1lwt
Download Download

2. Structure Basics 2. Structure Basics

Entry ID entry_id1lwt
Deposition date deposition_date2002-06-03
Structure title titleCrystal structure of the intein homing endonuclease PI-SceI bound to its substrate DNA (Ca2+ free)
Keywords keywordsHOMING ENDONUCLEASE, PROTEIN-DNA COMPLEX, INTEIN, ENDONUCLEASE, HYDROLASE-DNA COMPLEX; HYDROLASE/DNA
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier31.42
Radius of gyration Rg (electron density) rg_electron30.30
Forward intensity I(0) i0125671000.00
Molecular weight molecular_weight73471.0 kDa
Excluded volume excluded_volume85159 ų
Envelope volume envelope_volume113000 ų
Hydration-shell volume shell_volume32829 ų
Envelope diameter envelope_diameter119.8
Shell Rg shell_rg35.25
Envelope Rg envelope_rg30.56
Shape Rg shape_rg30.24
Total Rg total_rg30.84
Total atoms total_atoms5050
Residues n_residues514
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 dmax112.2
Rg (real space) rg_real31.69
Rg uncertainty (real space) rg_real_error1.45
I(0) (real space) i0_real1.2570e+08
I(0) uncertainty (real space) i0_real_error2.3820e+06
Rg (reciprocal space) rg_reciprocal31.58
I(0) (reciprocal space) i0_reciprocal125700000.0000
Solution quality estimate total_estimate0.6182
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary110.0
Skewness Skewness skewness0.578
Kurtosis Kurtosis kurtosis0.015
Angular range angular_range— – 0.2500 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha10480000.0000
Real-space data points n_real_points51
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.741; Stabil: 1.000; Sysdev: 0.062; Positv: 1.000; Valcen: 0.869; Smooth: 0.755

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (3 domains)

Domain ID domain_idd1lwta1
Class classb — All beta proteins
Fold Fold foldb.86 — Hedgehog/intein (Hint) domain
Superfamily Superfamily superfamilyb.86.1 — Hedgehog/intein (Hint) domain
Family Family familyb.86.1.2 — Intein (protein splicing domain)
Domain ID domain_idd1lwta2
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.95 — Homing endonuclease-like
Superfamily Superfamily superfamilyd.95.2 — Homing endonucleases
Family Family familyd.95.2.2 — Intein endonuclease
Domain ID domain_idd1lwta3
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.95 — Homing endonuclease-like
Superfamily Superfamily superfamilyd.95.2 — Homing endonucleases
Family Family familyd.95.2.2 — Intein endonuclease

CATH v4.4 (3 domains)

Domain ID domain_id1lwtA01
Class class2 — Mainly Beta
Architecture architecture170 — Beta Complex
Topology topology16 — Endonuclease - Pi-scei; Chain A, domain 1
Homologous superfamily homologous superfamily10 — Hedgehog/Intein (Hint) domain
Domain ID domain_id1lwtA02
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology28 — Endonuclease I-creI
Homologous superfamily homologous superfamily10 — Homing endonucleases
Domain ID domain_id1lwtA03
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology28 — Endonuclease I-creI
Homologous superfamily homologous superfamily10 — Homing endonucleases

8. Citations (2)

9. Files and Curves (10)