5o33

A structure of the GEF Kalirin DH1 domain in complex with the small GTPase Rac1

Method: X-RAY DIFFRACTION Dmax: 74.3 Å Quality: GOOD

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

Ras-related C3 botulinum toxin substrate 1

Homo sapiens

UniProt P63000

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 1–177 Not recorded Kalirin × 1 (P97924) EDO 1,2-ETHANEDIOL × 6 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 4.2;293 K;0.1M citrate pH4.2, 0.2M sodium chloride, 18% (W/V) PEG 8000 Resolution 1.64 Å R-free 0.240

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.

74 other PDB entries and 102 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name RAC1_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–177; UniProt 1–177

Kalirin

Rattus norvegicus

UniProt P97924

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 B; UniProt 1253–1432 Fragment:UNP residues 1253-1432 Ras-related C3 botulinum toxin substrate 1 × 1 (P63000) EDO 1,2-ETHANEDIOL × 6 GDP GUANOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 4.2;293 K;0.1M citrate pH4.2, 0.2M sodium chloride, 18% (W/V) PEG 8000 Resolution 1.64 Å R-free 0.240

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.

6 other PDB entries and 6 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name KALRN_RAT
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 1–180; UniProt 1253–1432

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 5o33

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 5o33
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2. Structure Basics 2. Structure Basics

Entry ID entry_id5o33
Deposition date deposition_date2017-05-23
Structure title titleA structure of the GEF Kalirin DH1 domain in complex with the small GTPase Rac1
Keywords keywordsComplex. GEF. Small GTPase, hydrolase; HYDROLASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier22.03
Radius of gyration Rg (electron density) rg_electron21.04
Forward intensity I(0) i027155700.00
Molecular weight molecular_weight40423.0 kDa
Excluded volume excluded_volume50821 ų
Envelope volume envelope_volume59783 ų
Hydration-shell volume shell_volume23528 ų
Envelope diameter envelope_diameter76.0
Shell Rg shell_rg27.86
Envelope Rg envelope_rg21.28
Shape Rg shape_rg21.04
Total Rg total_rg21.91
Total atoms total_atoms2863
Residues n_residues356
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 dmax74.3
Rg (real space) rg_real21.91
Rg uncertainty (real space) rg_real_error0.42
I(0) (real space) i0_real2.7160e+07
I(0) uncertainty (real space) i0_real_error3.4350e+05
Rg (reciprocal space) rg_reciprocal21.94
I(0) (reciprocal space) i0_reciprocal27160000.0000
Solution quality estimate total_estimate0.8016
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary26.6
Skewness Skewness skewness0.207
Kurtosis Kurtosis kurtosis-0.366
Angular range angular_range— – 0.3600 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha6654000.0000
Real-space data points n_real_points68
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.807; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.000

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

7. Fold Classification (SCOP + CATH) 3 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd5o33a_
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

CATH v4.4 (2 domains)

Domain ID domain_id5o33A00
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_id5o33B00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology900 — Dbl Homology Domain; Chain A
Homologous superfamily homologous superfamily10 — Dbl homology (DH) domain

8. Citations (1)

9. Files and Curves (10)