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Related entries of code: 6g36
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4qtcRCSB PDB    PDBbind357aa, >4QTC_1|Chain... *
5htbRCSB PDB    PDBbind357aa, >5HTB_1|Chain... at 100%
5htcRCSB PDB    PDBbind357aa, >5HTC_1|Chain... at 100%
6g34RCSB PDB    PDBbind357aa, >6G34_1|Chain... at 100%
6g35RCSB PDB    PDBbind357aa, >6G35_1|Chain... at 100%
6g37RCSB PDB    PDBbind357aa, >6G37_1|Chain... at 100%
6g38RCSB PDB    PDBbind357aa, >6G38_1|Chain... at 100%
6g39RCSB PDB    PDBbind357aa, >6G39_1|Chain... at 99%
6g3aRCSB PDB    PDBbind357aa, >6G3A_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6g36
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehaspin
Ligand NameEKH
EC.Number E.C.-.-.-.-
Resolution 1.46(Å)
Affinity (Kd/Ki/IC50)Kd=16.3nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) Angew. Chem. Int. Ed. Engl. Vol. 57: pp. 7220-7224
Ligand Properties
Formula C11H13ClN4O4
Molecular Weight 300.698
Exact Mass 300.063
No. of atoms 33
No. of bonds 35
Polar Surface Area 126.65
LOGP Value -0.72      (Computed with XLOGP3)
-0.14      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
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): Q8TF76  
Entrez Gene IDNCBI Entrez Gene ID: 83903  
ASDInformation of known allosteric effects of PDB entries

 
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