3lw8

Shigella IpgB2 in complex with human RhoA, GDP and Mg2+ (complex A)

Method: X-RAY DIFFRACTION Dmax: 125.8 Å Quality: GOOD

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

Transforming protein RhoA

Homo sapiens

UniProt P61586

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 2–181 Fragment:residues 2-181 IpgB2 × 1 (Q9AJW7) GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7.5;277 K;20% (w/v) PEG 3350, pH 7.5, vapor diffusion, hanging drop, temperature 277K Resolution 1.85 Å R-free 0.233
2 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain B; UniProt 2–181 Fragment:residues 2-181 IpgB2 × 1 (Q9AJW7) GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7.5;277 K;20% (w/v) PEG 3350, pH 7.5, vapor diffusion, hanging drop, temperature 277K Resolution 1.85 Å R-free 0.233
3 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain C; UniProt 2–181 Fragment:residues 2-181 IpgB2 × 1 (Q9AJW7) GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7.5;277 K;20% (w/v) PEG 3350, pH 7.5, vapor diffusion, hanging drop, temperature 277K Resolution 1.85 Å R-free 0.233
4 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain D; UniProt 2–181 Fragment:residues 2-181 IpgB2 × 1 (Q9AJW7) GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7.5;277 K;20% (w/v) PEG 3350, pH 7.5, vapor diffusion, hanging drop, temperature 277K Resolution 1.85 Å R-free 0.233

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.

129 other PDB entries and 162 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name RHOA_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 6–185; UniProt 2–181 Author chain B; PDBConstruct 6–185; UniProt 2–181 Author chain C; PDBConstruct 6–185; UniProt 2–181 Author chain D; PDBConstruct 6–185; UniProt 2–181

IpgB2

Shigella flexneri

UniProt Q9AJW7

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 F; UniProt 1–188 Not recorded Transforming protein RhoA × 1 (P61586) GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7.5;277 K;20% (w/v) PEG 3350, pH 7.5, vapor diffusion, hanging drop, temperature 277K Resolution 1.85 Å R-free 0.233
2 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain G; UniProt 1–188 Not recorded Transforming protein RhoA × 1 (P61586) GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7.5;277 K;20% (w/v) PEG 3350, pH 7.5, vapor diffusion, hanging drop, temperature 277K Resolution 1.85 Å R-free 0.233
3 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain H; UniProt 1–188 Not recorded Transforming protein RhoA × 1 (P61586) GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7.5;277 K;20% (w/v) PEG 3350, pH 7.5, vapor diffusion, hanging drop, temperature 277K Resolution 1.85 Å R-free 0.233
4 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain E; UniProt 1–188 Not recorded Transforming protein RhoA × 1 (P61586) GDP GUANOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7.5;277 K;20% (w/v) PEG 3350, pH 7.5, vapor diffusion, hanging drop, temperature 277K Resolution 1.85 Å R-free 0.233

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.

3 other PDB entries and 5 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name Q9AJW7_SHIFL
Isoform
PDB entities 2
Chains and sequence ranges Author chain E; PDBConstruct 5–192; UniProt 1–188 Author chain F; PDBConstruct 5–192; UniProt 1–188 Author chain G; PDBConstruct 5–192; UniProt 1–188 Author chain H; PDBConstruct 5–192; UniProt 1–188

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 3lw8

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3lw8
Download Download

2. Structure Basics 2. Structure Basics

Entry ID entry_id3lw8
Deposition date deposition_date2010-02-23
Structure title titleShigella IpgB2 in complex with human RhoA, GDP and Mg2+ (complex A)
Keywords keywords;IpgB2, RhoA, GTPase, GEF, GEF-GTPase-complex, WxxxE, TTSS effector protein, bacterial GEF, cytoskeleton dynamics, Signaling Protein-RHOA-BINDING PROTEIN complex ;; Signaling Protein/RHOA-BINDING PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier38.80
Radius of gyration Rg (electron density) rg_electron38.42
Forward intensity I(0) i0440916000.00
Molecular weight molecular_weight167480.0 kDa
Excluded volume excluded_volume208410 ų
Envelope volume envelope_volume285820 ų
Hydration-shell volume shell_volume60957 ų
Envelope diameter envelope_diameter143.2
Shell Rg shell_rg45.21
Envelope Rg envelope_rg37.90
Shape Rg shape_rg38.41
Total Rg total_rg38.85
Total atoms total_atoms11729
Residues n_residues1460
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 dmax125.8
Rg (real space) rg_real38.65
Rg uncertainty (real space) rg_real_error0.83
I(0) (real space) i0_real4.4090e+08
I(0) uncertainty (real space) i0_real_error7.1140e+06
Rg (reciprocal space) rg_reciprocal38.74
I(0) (reciprocal space) i0_reciprocal441000000.0000
Solution quality estimate total_estimate0.8993
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary46.0
Skewness Skewness skewness0.198
Kurtosis Kurtosis kurtosis-0.521
Angular range angular_range— – 0.2050 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha86230000.0000
Real-space data points n_real_points42
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.914; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.946

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

7. Fold Classification (SCOP + CATH) 16 domains

SCOP 2.08 (8 domains)

Domain ID domain_idd3lw8a1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.37 — P-loop containing nucleoside triphosphate hydrolases
Superfamily Superfamily superfamilyc.37.1 — P-loop containing nucleoside triphosphate hydrolases
Family Family familyc.37.1.8 — G proteins
Domain ID domain_idd3lw8a2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd3lw8b1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.37 — P-loop containing nucleoside triphosphate hydrolases
Superfamily Superfamily superfamilyc.37.1 — P-loop containing nucleoside triphosphate hydrolases
Family Family familyc.37.1.8 — G proteins
Domain ID domain_idd3lw8b2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd3lw8c1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.37 — P-loop containing nucleoside triphosphate hydrolases
Superfamily Superfamily superfamilyc.37.1 — P-loop containing nucleoside triphosphate hydrolases
Family Family familyc.37.1.8 — G proteins
Domain ID domain_idd3lw8c2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd3lw8d1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.37 — P-loop containing nucleoside triphosphate hydrolases
Superfamily Superfamily superfamilyc.37.1 — P-loop containing nucleoside triphosphate hydrolases
Family Family familyc.37.1.8 — G proteins
Domain ID domain_idd3lw8d2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags

CATH v4.4 (8 domains)

Domain ID domain_id3lw8A00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily300 — P-loop containing nucleotide triphosphate hydrolases
Domain ID domain_id3lw8B00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily300 — P-loop containing nucleotide triphosphate hydrolases
Domain ID domain_id3lw8C00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily300 — P-loop containing nucleotide triphosphate hydrolases
Domain ID domain_id3lw8D00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily300 — P-loop containing nucleotide triphosphate hydrolases
Domain ID domain_id3lw8E00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology4120 — SopE-like GEF fold
Homologous superfamily homologous superfamily20
Domain ID domain_id3lw8F00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology4120 — SopE-like GEF fold
Homologous superfamily homologous superfamily20
Domain ID domain_id3lw8G00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology4120 — SopE-like GEF fold
Homologous superfamily homologous superfamily20
Domain ID domain_id3lw8H00
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology4120 — SopE-like GEF fold
Homologous superfamily homologous superfamily20

8. Citations (1)

9. Files and Curves (10)