Browse entries in the PDBbind-CN Database

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Related entries of code: 3fui
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1hs6RCSB PDB    PDBbind611aa, >1HS6_1|Chain... at 100%
2r59RCSB PDB    PDBbind616aa, >2R59_1|Chain... at 100%
2vj8RCSB PDB    PDBbind611aa, >2VJ8_1|Chain... at 100%
3b7rRCSB PDB    PDBbind616aa, >3B7R_1|Chain... at 100%
3b7uRCSB PDB    PDBbind616aa, >3B7U_1|Chain... at 100%
3choRCSB PDB    PDBbind610aa, >3CHO_1|Chain... at 100%
3chpRCSB PDB    PDBbind610aa, >3CHP_1|Chain... at 100%
3chqRCSB PDB    PDBbind610aa, >3CHQ_1|Chain... at 100%
3chrRCSB PDB    PDBbind610aa, >3CHR_1|Chain... at 100%
3chsRCSB PDB    PDBbind610aa, >3CHS_1|Chain... at 100%
3fh5RCSB PDB    PDBbind611aa, >3FH5_1|Chain... at 100%
3fh7RCSB PDB    PDBbind611aa, >3FH7_1|Chain... at 100%
3fh8RCSB PDB    PDBbind611aa, >3FH8_1|Chain... at 100%
3fheRCSB PDB    PDBbind611aa, >3FHE_1|Chain... at 100%
3ftsRCSB PDB    PDBbind611aa, >3FTS_1|Chain... at 100%
3ftuRCSB PDB    PDBbind611aa, >3FTU_1|Chain... at 100%
3ftvRCSB PDB    PDBbind611aa, >3FTV_1|Chain... at 100%
3ftwRCSB PDB    PDBbind611aa, >3FTW_1|Chain... at 100%
3ftyRCSB PDB    PDBbind611aa, >3FTY_1|Chain... at 100%
3ftzRCSB PDB    PDBbind611aa, >3FTZ_1|Chain... at 100%
3fu0RCSB PDB    PDBbind611aa, >3FU0_1|Chain... at 100%
3fu3RCSB PDB    PDBbind611aa, >3FU3_1|Chain... at 100%
3fu5RCSB PDB    PDBbind611aa, >3FU5_1|Chain... at 100%
3fu6RCSB PDB    PDBbind611aa, >3FU6_1|Chain... at 100%
3fudRCSB PDB    PDBbind611aa, >3FUD_1|Chain... at 100%
3fueRCSB PDB    PDBbind611aa, >3FUE_1|Chain... at 100%
3fufRCSB PDB    PDBbind611aa, >3FUF_1|Chain... at 100%
3fuhRCSB PDB    PDBbind611aa, >3FUH_1|Chain... at 100%
3fujRCSB PDB    PDBbind611aa, >3FUJ_1|Chain... at 100%
3fukRCSB PDB    PDBbind611aa, >3FUK_1|Chain... at 100%
3fulRCSB PDB    PDBbind611aa, >3FUL_1|Chain... at 100%
3fumRCSB PDB    PDBbind611aa, >3FUM_1|Chain... at 100%
3funRCSB PDB    PDBbind611aa, >3FUN_1|Chain... at 100%
4l2lRCSB PDB    PDBbind611aa, >4L2L_1|Chain... at 100%
5aenRCSB PDB    PDBbind608aa, >5AEN_1|Chain... at 100%
5bppRCSB PDB    PDBbind631aa, >5BPP_1|Chain... *
5n3wRCSB PDB    PDBbind619aa, >5N3W_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3fui
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameLeukotriene A-4 hydrolase
Ligand Name812
EC.Number E.C.3.3.2.6
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)IC50=0.157uM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference (2009) J.Med.Chem. Vol. 52: pp. 4694-4715
Ligand Properties
Formula C18H23N2O
Molecular Weight 283.388
Exact Mass 283.181
No. of atoms 44
No. of bonds 46
Polar Surface Area 37.87
LOGP Value 3.50      (Computed with XLOGP3)
4.05      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 3
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): P09960  
Entrez Gene IDNCBI Entrez Gene ID: 4048  
ASDInformation of known allosteric effects of PDB entries
 
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