4iem

Human apurinic/apyrimidinic endonuclease (APE1) with product DNA and Mg2+

Method: X-RAY DIFFRACTION Dmax: 160.7 Å Quality: GOOD

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

DNA-(apurinic or apyrimidinic site) lyase

Homo sapiens

UniProt P27695

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 3 PDB declaration: tetrameric(4) Consistent with all polymer counts Chain A; UniProt 2–318 Not recorded ;DNA (5'-D(*GP*CP*TP*AP*C)-3') ; × 1 ;DNA (5'-D(P*(3DR)P*GP*AP*TP*CP*G)-3') ; × 1 ;DNA (5'-D(*CP*GP*AP*TP*CP*GP*GP*TP*AP*GP*C)-3') ; × 1 MG MAGNESIUM ION × 3 NA SODIUM ION × 4 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6;298 K;50 mM MES pH 6.0, 200 mM LiSO4, and 25% mPEG 2K, vapor diffusion, hanging drop, temperature 298K Resolution 2.39 Å R-free 0.246
2 Protein–DNA Monomer Protein × 1 DNA 3 PDB declaration: tetrameric(4) Consistent with all polymer counts Chain B; UniProt 2–318 Not recorded ;DNA (5'-D(*GP*CP*TP*AP*C)-3') ; × 1 ;DNA (5'-D(P*(3DR)P*GP*AP*TP*CP*G)-3') ; × 1 ;DNA (5'-D(*CP*GP*AP*TP*CP*GP*GP*TP*AP*GP*C)-3') ; × 1 MG MAGNESIUM ION × 1 NA SODIUM ION × 3 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6;298 K;50 mM MES pH 6.0, 200 mM LiSO4, and 25% mPEG 2K, vapor diffusion, hanging drop, temperature 298K Resolution 2.39 Å R-free 0.246
3 Protein–DNA Monomer Protein × 1 DNA 3 PDB declaration: tetrameric(4) Consistent with all polymer counts Chain C; UniProt 2–318 Not recorded ;DNA (5'-D(*GP*CP*TP*AP*C)-3') ; × 1 ;DNA (5'-D(P*(3DR)P*GP*AP*TP*CP*G)-3') ; × 1 ;DNA (5'-D(*CP*GP*AP*TP*CP*GP*GP*TP*AP*GP*C)-3') ; × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6;298 K;50 mM MES pH 6.0, 200 mM LiSO4, and 25% mPEG 2K, vapor diffusion, hanging drop, temperature 298K Resolution 2.39 Å R-free 0.246
4 Protein–DNA Monomer Protein × 1 DNA 3 PDB declaration: tetrameric(4) Consistent with all polymer counts Chain D; UniProt 2–318 Not recorded ;DNA (5'-D(*GP*CP*TP*AP*C)-3') ; × 1 ;DNA (5'-D(P*(3DR)P*GP*AP*TP*CP*G)-3') ; × 1 ;DNA (5'-D(*CP*GP*AP*TP*CP*GP*GP*TP*AP*GP*C)-3') ; × 1 MG MAGNESIUM ION × 1 NA SODIUM ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6;298 K;50 mM MES pH 6.0, 200 mM LiSO4, and 25% mPEG 2K, vapor diffusion, hanging drop, temperature 298K Resolution 2.39 Å R-free 0.246

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.

66 other PDB entries and 120 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name APEX1_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–317; UniProt 2–318 Author chain B; PDBConstruct 1–317; UniProt 2–318 Author chain C; PDBConstruct 1–317; UniProt 2–318 Author chain D; PDBConstruct 1–317; UniProt 2–318

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 4iem

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id4iem
Deposition date deposition_date2012-12-13
Structure title titleHuman apurinic/apyrimidinic endonuclease (APE1) with product DNA and Mg2+
Keywords keywordsmetalloprotein, DNA damage, DNA repair, base excision repair, protein-DNA, REF1, nuclease, HYDROLASE, LYASE-DNA complex; HYDROLASE, LYASE/DNA
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier44.63
Radius of gyration Rg (electron density) rg_electron44.31
Forward intensity I(0) i0407827000.00
Molecular weight molecular_weight150820.0 kDa
Excluded volume excluded_volume182200 ų
Envelope volume envelope_volume245650 ų
Hydration-shell volume shell_volume48881 ų
Envelope diameter envelope_diameter169.1
Shell Rg shell_rg45.78
Envelope Rg envelope_rg43.49
Shape Rg shape_rg44.25
Total Rg total_rg44.54
Total atoms total_atoms20210
Residues n_residues1190
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 dmax160.7
Rg (real space) rg_real45.15
Rg uncertainty (real space) rg_real_error2.11
I(0) (real space) i0_real4.0780e+08
I(0) uncertainty (real space) i0_real_error8.0700e+06
Rg (reciprocal space) rg_reciprocal44.64
I(0) (reciprocal space) i0_reciprocal407600000.0000
Solution quality estimate total_estimate0.7801
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary55.1
Skewness Skewness skewness0.583
Kurtosis Kurtosis kurtosis-0.085
Angular range angular_range— – 0.1750 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha25770000.0000
Real-space data points n_real_points36
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.642; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.602; Smooth: 0.609

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (7)

7. Fold Classification (SCOP + CATH) 4 domains

CATH v4.4 (4 domains)

Domain ID domain_id4iemA00
Class class3 — Alpha Beta
Architecture architecture60 — 4-Layer Sandwich
Topology topology10 — Deoxyribonuclease I; Chain A
Homologous superfamily homologous superfamily10 — Endonuclease/exonuclease/phosphatase
Domain ID domain_id4iemB00
Class class3 — Alpha Beta
Architecture architecture60 — 4-Layer Sandwich
Topology topology10 — Deoxyribonuclease I; Chain A
Homologous superfamily homologous superfamily10 — Endonuclease/exonuclease/phosphatase
Domain ID domain_id4iemC00
Class class3 — Alpha Beta
Architecture architecture60 — 4-Layer Sandwich
Topology topology10 — Deoxyribonuclease I; Chain A
Homologous superfamily homologous superfamily10 — Endonuclease/exonuclease/phosphatase
Domain ID domain_id4iemD00
Class class3 — Alpha Beta
Architecture architecture60 — 4-Layer Sandwich
Topology topology10 — Deoxyribonuclease I; Chain A
Homologous superfamily homologous superfamily10 — Endonuclease/exonuclease/phosphatase

8. Citations (1)

9. Files and Curves (10)