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: 6awo
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2aepRCSB PDB    PDBbind214aa, >2AEP_3|Chain... at 90%
2aeqRCSB PDB    PDBbind214aa, >2AEQ_2|Chain... at 91%
4am0RCSB PDB    PDBbind212aa, >4AM0_2|Chains... at 92%
4gmsRCSB PDB    PDBbind214aa, >4GMS_3|Chains... at 92%
4i2xRCSB PDB    PDBbind214aa, >4I2X_1|Chains... at 91%
4ij3RCSB PDB    PDBbind214aa, >4IJ3_2|Chain... at 90%
5jhlRCSB PDB    PDBbind216aa, >5JHL_3|Chain... *
5kvgRCSB PDB    PDBbind214aa, >5KVG_2|Chain... at 96%
5tkkRCSB PDB    PDBbind214aa, >5TKK_3|Chain... at 94%
6a0zRCSB PDB    PDBbind214aa, >6A0Z_3|Chain... at 91%
6awnRCSB PDB    PDBbind214aa, >6AWN_3|Chain... at 92%
6awpRCSB PDB    PDBbind214aa, >6AWP_3|Chain... at 92%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3gwuRCSB PDB    PDBbindSRE
4mm5RCSB PDB    PDBbindSRE
6f6nRCSB PDB    PDBbindSRE
Entry Information
PDB ID6awo
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSerotonin transporter (SERT) ts3
Ligand NameSRE
EC.Number E.C.-.-.-.-
Resolution 3.53(Å)
Affinity (Kd/Ki/IC50)Ki=2.0nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Nat. Struct. Mol. Biol. Vol. 25: pp. 170-175
Ligand Properties
Formula C17H18Cl2N
Molecular Weight 307.238
Exact Mass 306.082
No. of atoms 38
No. of bonds 40
Polar Surface Area 16.61
LOGP Value 4.78      (Computed with XLOGP3)
4.15      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 1
No. of Rings: 3
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): P31645  
Entrez Gene IDNCBI Entrez Gene ID: 6532  
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