Browse entries in the PDBbind-CN Database

Display Options: Structure:  




Goto PDB code:

3D presentation of molecule is powered by 3Dmol, which supports all modern browsers and mobile devices via WebGL.

           
Hold mouse button: left to rotate,middle to shift,right to zoom

Related entries of code: 2hk5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2c0oRCSB PDB    PDBbind454aa, >2C0O_1|Chains... *
3vryRCSB PDB    PDBbind454aa, >3VRY_1|Chains... at 100%
3vs3RCSB PDB    PDBbind454aa, >3VS3_1|Chains... at 100%
5h09RCSB PDB    PDBbind454aa, >5H09_1|Chain... at 100%
5h0bRCSB PDB    PDBbind454aa, >5H0B_1|Chain... at 100%
5h0eRCSB PDB    PDBbind454aa, >5H0E_1|Chain... at 100%
5h0gRCSB PDB    PDBbind454aa, >5H0G_1|Chain... at 100%
5h0hRCSB PDB    PDBbind454aa, >5H0H_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID2hk5
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTyrosine-protein kinase HCK
Ligand Name1BM
EC.Number E.C.2.7.10.2
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=46nM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference Bioorg. Med. Chem. Lett. 2006, 16, 5973-5977.
Ligand Properties
Formula C24H30N7O
Molecular Weight 432.541
Exact Mass 432.251
No. of atoms 62
No. of bonds 65
Polar Surface Area 92.33
LOGP Value 4.68      (Computed with XLOGP3)
3.06      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): P08631  
Entrez Gene IDNCBI Entrez Gene ID: 3055  
ASDInformation of known allosteric effects of PDB entries

 
This site has been visited times since Nov 2007.


Copyright ©2007-2024    涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃    缃戠珯澶囨鍙凤細娌狪CP澶2021015625鍙-3    娌叕缃戝畨澶囷細姝e湪鐢宠涓


Technical Support锛堟妧鏈敮鎸侊級: yingsaisi@foxmail.com