4urz

The crystal structure of H-Ras and SOS in complex with ligands

Method: X-RAY DIFFRACTION Dmax: 101.5 Å Quality: REASONABLE

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

GTPASE HRAS

HOMO SAPIENS

UniProt P01112

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 R; UniProt 1–166 Fragment:RESIDUES 1-166 SON OF SEVENLESS HOMOLOG 1 × 1 (Q07889) VJP 1-[(4-aminophenyl)sulfonyl]piperidin-2-one × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed experimental conditions Resolution 2.24 Å R-free 0.212

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.

242 other PDB entries and 324 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name RASH_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain R; PDBConstruct 20–185; UniProt 1–166

SON OF SEVENLESS HOMOLOG 1

HOMO SAPIENS

UniProt Q07889

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 S; UniProt 564–1049 Fragment:RESIDUES 564-1049 GTPASE HRAS × 1 (P01112) VJP 1-[(4-aminophenyl)sulfonyl]piperidin-2-one × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed experimental conditions Resolution 2.24 Å R-free 0.212

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.

90 other PDB entries and 115 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name SOS1_HUMAN
Isoform
PDB entities 2
Chains and sequence ranges Author chain S; PDBConstruct 2–487; UniProt 564–1049

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 4urz

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id4urz
Deposition date deposition_date2014-07-02
Structure title titleThe crystal structure of H-Ras and SOS in complex with ligands
Keywords keywordsSIGNALING PROTEIN; SIGNALING PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier29.21
Radius of gyration Rg (electron density) rg_electron28.46
Forward intensity I(0) i082541700.00
Molecular weight molecular_weight72097.0 kDa
Excluded volume excluded_volume90610 ų
Envelope volume envelope_volume113730 ų
Hydration-shell volume shell_volume33791 ų
Envelope diameter envelope_diameter107.5
Shell Rg shell_rg35.20
Envelope Rg envelope_rg28.78
Shape Rg shape_rg28.46
Total Rg total_rg29.13
Total atoms total_atoms5082
Residues n_residues622
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 dmax101.5
Rg (real space) rg_real29.24
Rg uncertainty (real space) rg_real_error0.99
I(0) (real space) i0_real8.2540e+07
I(0) uncertainty (real space) i0_real_error1.3730e+06
Rg (reciprocal space) rg_reciprocal29.23
I(0) (reciprocal space) i0_reciprocal82540000.0000
Solution quality estimate total_estimate0.6142
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks3
Primary peak position r_peak_primary32.0
Skewness Skewness skewness0.386
Kurtosis Kurtosis kurtosis-0.299
Angular range angular_range— – 0.2700 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha25310000.0000
Real-space data points n_real_points55
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.787; Stabil: 0.998; Sysdev: 0.218; Positv: 1.000; Valcen: 0.972; Smooth: 0.000

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_idd4urzr1
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_idd4urzr2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd4urzs_
Class classa — All alpha proteins
Fold Fold folda.117 — Ras GEF
Superfamily Superfamily superfamilya.117.1 — Ras GEF
Family Family familya.117.1.1 — Ras GEF

CATH v4.4 (3 domains)

Domain ID domain_id4urzR00
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_id4urzS01
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology870 — Son of sevenless (SoS) protein; Chain S, domain 1
Homologous superfamily homologous superfamily10 — Son of sevenless (SoS) protein Chain: S domain 1
Domain ID domain_id4urzS02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology840 — Son of Sevenless (SoS) protein; Chain S, domain 2
Homologous superfamily homologous superfamily10 — Ras guanine-nucleotide exchange factors catalytic domain

8. Citations (1)

9. Files and Curves (10)