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: 6pdj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1qpeRCSB PDB    PDBbind279aa, >1QPE_1|Chain... at 100%
2of2RCSB PDB    PDBbind271aa, >2OF2_1|Chain... at 100%
2of4RCSB PDB    PDBbind271aa, >2OF4_1|Chain... at 100%
2ofuRCSB PDB    PDBbind273aa, >2OFU_1|Chain... at 100%
2ofvRCSB PDB    PDBbind277aa, >2OFV_1|Chains... at 100%
2og8RCSB PDB    PDBbind265aa, >2OG8_1|Chains... at 100%
2pl0RCSB PDB    PDBbind289aa, >2PL0_1|Chain... *
2zm1RCSB PDB    PDBbind285aa, >2ZM1_1|Chain... at 100%
2zybRCSB PDB    PDBbind285aa, >2ZYB_1|Chain... at 100%
3b2wRCSB PDB    PDBbind277aa, >3B2W_1|Chain... at 100%
3bymRCSB PDB    PDBbind272aa, >3BYM_1|Chain... at 100%
3byoRCSB PDB    PDBbind271aa, >3BYO_1|Chain... at 100%
3bysRCSB PDB    PDBbind277aa, >3BYS_1|Chain... at 100%
3byuRCSB PDB    PDBbind277aa, >3BYU_1|Chain... at 100%
3kmmRCSB PDB    PDBbind288aa, >3KMM_1|Chain... at 97%
3kxzRCSB PDB    PDBbind287aa, >3KXZ_1|Chain... at 99%
3mpmRCSB PDB    PDBbind267aa, >3MPM_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6pdj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameTyrosine-protein kinase LCK
Ligand NameODJ
EC.Number E.C.2.7.10.2
Resolution 1.81(Å)
Affinity (Kd/Ki/IC50)IC50=42nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Acs Med.Chem.Lett. Vol. 10: pp. 1486-1491
Ligand Properties
Formula C25H22N6O3
Molecular Weight 454.481
Exact Mass 454.175
No. of atoms 56
No. of bonds 60
Polar Surface Area 102.55
LOGP Value 3.05      (Computed with XLOGP3)
4.19      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 5
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): P06239  
Entrez Gene IDNCBI Entrez Gene ID: 3932  
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