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: 4brx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2etmRCSB PDB    PDBbind281aa, >2ETM_1|Chains... at 98%
2jkkRCSB PDB    PDBbind276aa, >2JKK_1|Chain... at 98%
2jkmRCSB PDB    PDBbind276aa, >2JKM_1|Chain... at 99%
2jkoRCSB PDB    PDBbind276aa, >2JKO_1|Chain... at 98%
2jkqRCSB PDB    PDBbind276aa, >2JKQ_1|Chain... at 99%
3bz3RCSB PDB    PDBbind276aa, >3BZ3_1|Chain... at 98%
4c7tRCSB PDB    PDBbind276aa, >4C7T_1|Chain... at 98%
4ebvRCSB PDB    PDBbind304aa, >4EBV_1|Chain... *
4ebwRCSB PDB    PDBbind304aa, >4EBW_1|Chain... at 100%
4gu6RCSB PDB    PDBbind282aa, >4GU6_1|Chains... at 97%
4gu9RCSB PDB    PDBbind279aa, >4GU9_1|Chains... at 98%
4i4eRCSB PDB    PDBbind281aa, >4I4E_1|Chain... at 100%
4i4fRCSB PDB    PDBbind281aa, >4I4F_1|Chain... at 100%
4k8aRCSB PDB    PDBbind279aa, >4K8A_1|Chains... at 98%
4k9yRCSB PDB    PDBbind279aa, >4K9Y_1|Chain... at 98%
4kabRCSB PDB    PDBbind279aa, >4KAB_1|Chains... at 98%
4kaoRCSB PDB    PDBbind282aa, >4KAO_1|Chains... at 97%
4q9sRCSB PDB    PDBbind281aa, >4Q9S_1|Chain... at 100%
6i8zRCSB PDB    PDBbind281aa, >6I8Z_1|Chain... at 98%
6gcxRCSB PDB    PDBbind276aa, >6GCX_1|Chain... at 98%
6gcwRCSB PDB    PDBbind276aa, >6GCW_1|Chains... at 98%
6gcrRCSB PDB    PDBbind276aa, >6GCR_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 ID4brx
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameFOCAL ADHESION KINASE 1
Ligand NameKGW
EC.Number E.C.2.7.10.2
Resolution 2.05(Å)
Affinity (Kd/Ki/IC50)IC50=0.32uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Bioorg.Med.Chem.Lett. Vol. 23: pp. 4552-4556
Ligand Properties
Formula C22H25N7O3
Molecular Weight 435.479
Exact Mass 435.202
No. of atoms 57
No. of bonds 60
Polar Surface Area 113.53
LOGP Value 3.27      (Computed with XLOGP3)
3.17      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 10
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): Q00944  
Entrez Gene IDNCBI Entrez Gene ID: 396416  
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