3VS1: Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea

PDB ID: 3VS1Download
MMDB ID: 109511
PDB Deposition Date: 2012/4/21
Updated in MMDB: 2023/12
Experimental Method:
x-ray diffraction
Resolution: 2.464  Å
Source Organism:
Similar Structures:
Biological Unit for 3VS1: monomeric; determined by author and by software (PISA)
Molecular Components in 3VS1
Label Count Molecule
Protein (1 molecule)
1
Tyrosine-protein Kinase HCK
(Gene symbol: HCK)
Molecule annotation
Chemicals and Non-standard biopolymers (4 molecules)
1
2
CALCIUM IONCALCIUM ION
2
1
CHLORIDE IONCHLORIDE ION
3
1
1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303