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Related entries of code: 4tkj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1hmrRCSB PDB    PDBbind132aa, >1HMR_1|Chain... at 100%
1hmsRCSB PDB    PDBbind132aa, >1HMS_1|Chain... at 100%
1hmtRCSB PDB    PDBbind132aa, >1HMT_1|Chain... at 100%
2hmbRCSB PDB    PDBbind132aa, >2HMB_1|Chain... at 100%
3wvmRCSB PDB    PDBbind133aa, >3WVM_1|Chain... at 100%
4tjzRCSB PDB    PDBbind133aa, >4TJZ_1|Chain... at 100%
4tkbRCSB PDB    PDBbind133aa, >4TKB_1|Chain... at 100%
4tkhRCSB PDB    PDBbind133aa, >4TKH_1|Chain... at 100%
5hz9RCSB PDB    PDBbind135aa, >5HZ9_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1b56RCSB PDB    PDBbindPLM
2hmbRCSB PDB    PDBbindPLM
2hnxRCSB PDB    PDBbindPLM
3l1nRCSB PDB    PDBbindPLM
3qlmRCSB PDB    PDBbindPLM
3uewRCSB PDB    PDBbindPLM
3v2qRCSB PDB    PDBbindPLM
5d1wRCSB PDB    PDBbindPLM
6qi7RCSB PDB    PDBbindPLM
Entry Information
PDB ID4tkj
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehuman heart fatty acid-binding protein
Ligand NamePLM
EC.Number E.C.-.-.-.-
Resolution 0.87(Å)
Affinity (Kd/Ki/IC50)Kd=0.913uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Angew.Chem.Int.Ed.Engl. Vol. 54: pp. 1508-1511
Ligand Properties
Formula C16H30O2
Molecular Weight 254.408
Exact Mass 254.225
No. of atoms 48
No. of bonds 47
Polar Surface Area 37.3
LOGP Value 7.63      (Computed with XLOGP3)
5.33      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
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): P05413  
Entrez Gene IDNCBI Entrez Gene ID: 2170  
ASDInformation of known allosteric effects of PDB entries
 
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