Browse entries in the PDBbind-CN Database

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Related entries of code: 6ee2
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%
6eeeRCSB PDB    PDBbind519aa, >6EEE_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6eaaRCSB PDB    PDBbindJ1V
Entry Information
PDB ID6ee2
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePf-M17
Ligand NameJ1V
EC.Number E.C.-.-.-.-
Resolution 2.1(Å)
Affinity (Kd/Ki/IC50)Ki=195nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Med. Chem. Vol.62 : pp. 622-640
Ligand Properties
Formula C21H21F3N2O3
Molecular Weight 406.398
Exact Mass 406.150
No. of atoms 50
No. of bonds 52
Polar Surface Area 78.43
LOGP Value 4.10      (Computed with XLOGP3)
4.80      (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: 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): W4I9J7  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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