Browse entries in the PDBbind-CN Database

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Related entries of code: 6awp
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%
6awoRCSB PDB    PDBbind214aa, >6AWO_3|Chain... at 92%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4mm9RCSB PDB    PDBbindFVX
Entry Information
PDB ID6awp
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSerotonin transporter (SERT) ts2
Ligand NameFVX
EC.Number E.C.-.-.-.-
Resolution 3.8(Å)
Affinity (Kd/Ki/IC50)Kd=69nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Nat. Struct. Mol. Biol. Vol. 25: pp. 170-175
Ligand Properties
Formula C15H22F3N2O2
Molecular Weight 319.343
Exact Mass 319.163
No. of atoms 44
No. of bonds 44
Polar Surface Area 58.46
LOGP Value 2.63      (Computed with XLOGP3)
2.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 1
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
 
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