Browse entries in the PDBbind-CN Database

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Related entries of code: 3mct
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1b42RCSB PDB    PDBbind297aa, >1B42_1|Chain... at 100%
1bkyRCSB PDB    PDBbind307aa, >1BKY_1|Chain... *
3magRCSB PDB    PDBbind307aa, >3MAG_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3mct
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namevp39
Ligand Name3MC
EC.Number E.C.2.7.7.19
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Kd=85.5uM
Release Year1999
Protein/NA SequenceCheck fasta file
Primary Reference Proc.Natl.Acad.Sci.USA v96 pp. 7149-54, 1999
Ligand Properties
Formula C5H7N3O
Molecular Weight 125.129
Exact Mass 125.059
No. of atoms 16
No. of bonds 16
Polar Surface Area 60.91
LOGP Value -1.00      (Computed with XLOGP3)
-0.06      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 1
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): P07617  
Entrez Gene IDNCBI Entrez Gene ID: 3707551  
ASDInformation of known allosteric effects of PDB entries

 
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