Allosteric Inhibitors of VAV1 Block Guanine Nucleotide Exchange Activity
Gerspacher, M., Skaanderup, P.R.To be published.
Experimental Data Snapshot
Starting Model: experimental
View more details
Entity ID: 1 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
Proto-oncogene vav | 421 | Homo sapiens | Mutation(s): 0 Gene Names: VAV1, VAV | ![]() | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P15498 (Homo sapiens) Explore P15498 Go to UniProtKB: P15498 | |||||
PHAROS: P15498 GTEx: ENSG00000141968 | |||||
Entity Groups | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P15498 | ||||
Sequence AnnotationsExpand | |||||
|
Ligands 2 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
9K1 Query on 9K1 | D [auth A] | (2S)-2-{[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino}-3-(pyridin-3-yl)propan-1-ol C21 H21 N5 O ALAPXRDQVUXCMS-SFHVURJKSA-N | |||
ZN Query on ZN | B [auth A], C [auth A] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 36.88 | α = 90 |
b = 67.641 | β = 90 |
c = 179.544 | γ = 90 |
Software Name | Purpose |
---|---|
BUSTER | refinement |
XDS | data reduction |
Aimless | data scaling |
PHASER | phasing |
PDB_EXTRACT | data extraction |