Browse entries in the PDBbind-CN Database

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Related entries of code: 6eee
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3kr4RCSB PDB    PDBbind528aa, >3KR4_1|Chains... *
3kr5RCSB PDB    PDBbind528aa, >3KR5_1|Chains... at 100%
3t8wRCSB PDB    PDBbind528aa, >3T8W_1|Chains... at 100%
4k3nRCSB PDB    PDBbind528aa, >4K3N_1|Chains... at 100%
4r6tRCSB PDB    PDBbind528aa, >4R6T_1|Chains... at 100%
4r76RCSB PDB    PDBbind528aa, >4R76_1|Chains... at 100%
4r7mRCSB PDB    PDBbind528aa, >4R7M_1|Chains... at 100%
4zx8RCSB PDB    PDBbind522aa, >4ZX8_1|Chains... at 99%
4zx9RCSB PDB    PDBbind522aa, >4ZX9_1|Chains... at 99%
4zy0RCSB PDB    PDBbind522aa, >4ZY0_1|Chains... at 99%
4zy1RCSB PDB    PDBbind522aa, >4ZY1_1|Chains... at 99%
4zy2RCSB PDB    PDBbind522aa, >4ZY2_1|Chains... at 99%
4zyqRCSB PDB    PDBbind522aa, >4ZYQ_1|Chains... at 99%
5cbmRCSB PDB    PDBbind519aa, >5CBM_1|Chains... at 100%
6ee2RCSB PDB    PDBbind526aa, >6EE2_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6ee3RCSB PDB    PDBbindJ4V
Entry Information
PDB ID6eee
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePf-M17
Ligand NameJ4V
EC.Number E.C.-.-.-.-
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Ki=28.9nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Med. Chem. Vol.62 : pp. 622-640
Ligand Properties
Formula C25H25F3N2O3
Molecular Weight 458.473
Exact Mass 458.182
No. of atoms 58
No. of bonds 62
Polar Surface Area 78.43
LOGP Value 5.05      (Computed with XLOGP3)
5.29      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 5
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): A0A0L7KHE6  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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