Browse entries in the PDBbind-CN Database

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Related entries of code: 6orr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5xvqRCSB PDB    PDBbind284aa, >5XVQ_1|Chains... *
5yjfRCSB PDB    PDBbind284aa, >5YJF_1|Chains... at 96%
6chhRCSB PDB    PDBbind283aa, >6CHH_1|Chains... at 96%
6pvsRCSB PDB    PDBbind283aa, >6PVS_1|Chains... at 96%
6pveRCSB PDB    PDBbind283aa, >6PVE_1|Chains... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6orr
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehuman NicotinamideN-Methyltransferase (NNMT)
Ligand NameN37
EC.Number E.C.-.-.-.-
Resolution 2.25(Å)
Affinity (Kd/Ki/IC50)Ki=0.5nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) J.Med.Chem. Vol. 62: pp. 9837-9873
Ligand Properties
Formula C24H28N7O6
Molecular Weight 510.522
Exact Mass 510.210
No. of atoms 65
No. of bonds 68
Polar Surface Area 227.34
LOGP Value -2.39      (Computed with XLOGP3)
-0.06      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 4
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): P40261  
Entrez Gene IDNCBI Entrez Gene ID: 4837  
ASDInformation of known allosteric effects of PDB entries
 
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