Browse entries in the PDBbind-CN Database

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Related entries of code: 4mcd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3axzRCSB PDB    PDBbind266aa, >3AXZ_1|Chain... *
4mcbRCSB PDB    PDBbind246aa, >4MCB_1|Chains... at 100%
4mccRCSB PDB    PDBbind246aa, >4MCC_1|Chains... 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 ID4mcd
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NametRNA (guanine-N(1)-)-methyltransferase
Ligand Name22L
EC.Number E.C.2.1.1.228
Resolution 1.55(Å)
Affinity (Kd/Ki/IC50)IC50=4.7uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 7278-7288
Ligand Properties
Formula C12H8N2OS
Molecular Weight 228.270
Exact Mass 228.036
No. of atoms 24
No. of bonds 26
Polar Surface Area 73.99
LOGP Value 2.35      (Computed with XLOGP3)
2.65      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 1
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): P43912  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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