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: 5w6o
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3g15RCSB PDB    PDBbind401aa, >3G15_1|Chains... at 95%
3zm9RCSB PDB    PDBbind383aa, >3ZM9_1|Chains... at 100%
4br3RCSB PDB    PDBbind383aa, >4BR3_1|Chains... at 100%
4cg8RCSB PDB    PDBbind383aa, >4CG8_1|Chain... at 100%
4cg9RCSB PDB    PDBbind383aa, >4CG9_1|Chain... at 100%
4cgaRCSB PDB    PDBbind383aa, >4CGA_1|Chain... at 100%
4da5RCSB PDB    PDBbind457aa, >4DA5_1|Chains... *
5afvRCSB PDB    PDBbind378aa, >5AFV_1|Chains... at 100%
5eqeRCSB PDB    PDBbind401aa, >5EQE_1|Chains... at 95%
5eqpRCSB PDB    PDBbind401aa, >5EQP_1|Chains... at 95%
5eqyRCSB PDB    PDBbind401aa, >5EQY_1|Chains... at 95%
5ftgRCSB PDB    PDBbind378aa, >5FTG_1|Chain... at 100%
5futRCSB PDB    PDBbind378aa, >5FUT_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 ID5w6o
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCholine kinase alpha
Ligand Name9X1
EC.Number E.C.2.7.1.32
Resolution 2.35(Å)
Affinity (Kd/Ki/IC50)IC50=520nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Biochemistry Vol. 57: pp. 1316-1325
Ligand Properties
Formula C46H40Cl2N4
Molecular Weight 719.743
Exact Mass 718.263
No. of atoms 92
No. of bonds 99
Polar Surface Area 12.96
LOGP Value 11.62      (Computed with XLOGP3)
12.00      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 8
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): P35790  
Entrez Gene IDNCBI Entrez Gene ID: 1119  
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