2oh4

Crystal structure of Vegfr2 with a benzimidazole-urea inhibitor

Method: X-RAY DIFFRACTION Dmax: 67.2 Å Quality: EXCELLENT

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

Vascular endothelial growth factor receptor 2

Homo sapiens

UniProt P35968

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 monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain A; UniProt 806–940 Chain A; UniProt 992–1171 Fragment:kinase domain Mutation:E990V, Deletion of residues 940-989 Non-standard monomer:Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 2 GIG METHYL (5-{4-[({[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-1H-BENZIMIDAZOL-2-YL)CARBAMATE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7.2;277 K;pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K Resolution 2.05 Å R-free 0.231

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.

53 other PDB entries and 64 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name VGFR2_HUMAN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 2–136; UniProt 806–940 Author chain A; PDBConstruct 137–316; UniProt 992–1171

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 2oh4

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 2oh4
Download Download

2. Structure Basics 2. Structure Basics

Entry ID entry_id2oh4
Deposition date deposition_date2007-01-09
Structure title titleCrystal structure of Vegfr2 with a benzimidazole-urea inhibitor
Keywords keywords;Vascular endothelial growth factor receptor 2, Tyrosine-protein kinase, Angiogenesis, ATP-binding, Phosphorylation, Kinase insert domain receptor, Protein-tyrosine kinase receptor Flk-1, Transferase ;; TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier21.14
Radius of gyration Rg (electron density) rg_electron20.00
Forward intensity I(0) i021037600.00
Molecular weight molecular_weight34552.0 kDa
Excluded volume excluded_volume43123 ų
Envelope volume envelope_volume51578 ų
Hydration-shell volume shell_volume21397 ų
Envelope diameter envelope_diameter68.8
Shell Rg shell_rg26.55
Envelope Rg envelope_rg20.36
Shape Rg shape_rg20.00
Total Rg total_rg20.90
Total atoms total_atoms2424
Residues n_residues297
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 dmax67.2
Rg (real space) rg_real21.05
Rg uncertainty (real space) rg_real_error0.37
I(0) (real space) i0_real2.1040e+07
I(0) uncertainty (real space) i0_real_error2.7540e+05
Rg (reciprocal space) rg_reciprocal21.06
I(0) (reciprocal space) i0_reciprocal21040000.0000
Solution quality estimate total_estimate0.9008
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary25.7
Skewness Skewness skewness0.218
Kurtosis Kurtosis kurtosis-0.434
Angular range angular_range— – 0.3750 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha4761000.0000
Real-space data points n_real_points69
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.903; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.999

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd2oh4a1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.144 — Protein kinase-like (PK-like)
Superfamily Superfamily superfamilyd.144.1 — Protein kinase-like (PK-like)
Family Family familyd.144.1.7 — Protein kinases, catalytic subunit
Domain ID domain_idd2oh4a2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags

CATH v4.4 (2 domains)

Domain ID domain_id2oh4A01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily20 — Phosphorylase Kinase; domain 1
Domain ID domain_id2oh4A02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily10 — Transferase(Phosphotransferase) domain 1

8. Citations (1)

9. Files and Curves (10)