Browse entries in the PDBbind-CN Database

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Related entries of code: 6e3s
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2a24RCSB PDB    PDBbind107aa, >2A24_1|Chain... at 98%
4zphRCSB PDB    PDBbind360aa, >4ZPH_2|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5tbmRCSB PDB    PDBbind79A
Entry Information
PDB ID6e3s
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameEndothelial PAS domain-containing protein 1
Ligand Name79A
EC.Number E.C.-.-.-.-
Resolution 3(Å)
Affinity (Kd/Ki/IC50)Kd=167nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Nat. Chem. Biol. Vol. 15: pp. 367-376
Ligand Properties
Formula C17H12F3NO4S
Molecular Weight 383.342
Exact Mass 383.044
No. of atoms 38
No. of bonds 40
Polar Surface Area 95.77
LOGP Value 2.36      (Computed with XLOGP3)
4.20      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
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): P97481  P53762  
Entrez Gene IDNCBI Entrez Gene ID: 13819  11863  
ASDInformation of known allosteric effects of PDB entries
 
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