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: 3qs5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2q6hRCSB PDB    PDBbind519aa, >2Q6H_1|Chain... *
2q72RCSB PDB    PDBbind519aa, >2Q72_1|Chain... at 100%
2qjuRCSB PDB    PDBbind511aa, >2QJU_1|Chain... at 100%
3f3aRCSB PDB    PDBbind519aa, >3F3A_1|Chain... at 100%
3f3cRCSB PDB    PDBbind519aa, >3F3C_1|Chain... at 100%
3f3dRCSB PDB    PDBbind519aa, >3F3D_1|Chain... at 100%
3f3eRCSB PDB    PDBbind519aa, >3F3E_1|Chain... at 100%
3f48RCSB PDB    PDBbind519aa, >3F48_1|Chain... at 100%
3gjdRCSB PDB    PDBbind515aa, >3GJD_1|Chain... at 100%
3gwuRCSB PDB    PDBbind515aa, >3GWU_1|Chain... at 100%
3gwvRCSB PDB    PDBbind515aa, >3GWV_1|Chain... at 100%
3gwwRCSB PDB    PDBbind515aa, >3GWW_1|Chain... at 100%
3qs4RCSB PDB    PDBbind519aa, >3QS4_1|Chain... at 99%
3qs6RCSB PDB    PDBbind519aa, >3QS6_1|Chain... at 99%
4fxzRCSB PDB    PDBbind513aa, >4FXZ_1|Chain... at 99%
4hmkRCSB PDB    PDBbind513aa, >4HMK_1|Chains... at 99%
4hodRCSB PDB    PDBbind515aa, >4HOD_1|Chain... at 99%
4mm4RCSB PDB    PDBbind519aa, >4MM4_1|Chains... at 97%
4mm5RCSB PDB    PDBbind519aa, >4MM5_1|Chain... at 97%
4mm6RCSB PDB    PDBbind519aa, >4MM6_1|Chain... at 97%
4mm7RCSB PDB    PDBbind519aa, >4MM7_1|Chain... at 97%
4mm8RCSB PDB    PDBbind519aa, >4MM8_1|Chain... at 97%
4mm9RCSB PDB    PDBbind519aa, >4MM9_1|Chain... at 97%
4mmaRCSB PDB    PDBbind519aa, >4MMA_1|Chain... at 97%
4mmeRCSB PDB    PDBbind519aa, >4MME_1|Chains... at 98%
4mmfRCSB PDB    PDBbind518aa, >4MMF_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1qawRCSB PDB    PDBbindTRP
2a4mRCSB PDB    PDBbindTRP
3f3aRCSB PDB    PDBbindTRP
3qs4RCSB PDB    PDBbindTRP
3qs6RCSB PDB    PDBbindTRP
3rziRCSB PDB    PDBbindTRP
4us3RCSB PDB    PDBbindTRP
4us4RCSB PDB    PDBbindTRP
5eb2RCSB PDB    PDBbindTRP
5k5sRCSB PDB    PDBbindTRP
5uxmRCSB PDB    PDBbindTRP
6am8RCSB PDB    PDBbindTRP
6amiRCSB PDB    PDBbindTRP
6gg5RCSB PDB    PDBbindTRP
6os6RCSB PDB    PDBbindTRP
6os5RCSB PDB    PDBbindTRP
Entry Information
PDB ID3qs5
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameNa(+):neurotransmitter symporter (Snf family)(I359Q)
Ligand NameTRP
EC.Number E.C.-.-.-.-
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)Kd=19.6uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Embo J. Vol. 31: pp. 228-235
Ligand Properties
Formula C11H13N2O2
Molecular Weight 205.233
Exact Mass 205.098
No. of atoms 28
No. of bonds 29
Polar Surface Area 80.73
LOGP Value -0.40      (Computed with XLOGP3)
0.41      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
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): O67854  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
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