Browse entries in the PDBbind-CN Database

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Related entries of code: 4mhz
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4mhyRCSB PDB    PDBbind326aa, >4MHY_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3pb7RCSB PDB    PDBbindPBD
3pbbRCSB PDB    PDBbindPBD
4f9uRCSB PDB    PDBbindPBD
4f9vRCSB PDB    PDBbindPBD
4faiRCSB PDB    PDBbindPBD
4fbeRCSB PDB    PDBbindPBD
4mhyRCSB PDB    PDBbindPBD
Entry Information
PDB ID4mhz
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Nameglutaminyl cyclase from Ixodes scapularis
Ligand NamePBD
EC.Number E.C.2.3.2.5
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)Ki=0.134uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Acta Crystallogr.,Sect.D Vol. 70: pp. 789-801
Ligand Properties
Formula C15H20N4O2S
Molecular Weight 320.410
Exact Mass 320.131
No. of atoms 42
No. of bonds 43
Polar Surface Area 99.47
LOGP Value 1.98      (Computed with XLOGP3)
2.89      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
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): B7QK46  
Entrez Gene IDNCBI Entrez Gene ID: 8042451  
ASDInformation of known allosteric effects of PDB entries
 
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