Browse entries in the PDBbind-CN Database

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Related entries of code: 2fum
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3f69RCSB PDB    PDBbind311aa, >3F69_1|Chains... *
6b2pRCSB PDB    PDBbind279aa, >6B2P_1|Chain... at 98%
5u94RCSB PDB    PDBbind285aa, >5U94_1|Chain... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6gh9RCSB PDB    PDBbindMIX
Entry Information
PDB ID2fum
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Nameserine/threonine-protein kinase pknb
Ligand NameMIX
EC.Number E.C.2.7.1.37
Resolution 2.89(Å)
Affinity (Kd/Ki/IC50)IC50=0.8uM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference Febs Lett. v580 pp. 3018-22, 2006
Ligand Properties
Formula C22H30N4O6
Molecular Weight 446.497
Exact Mass 446.217
No. of atoms 62
No. of bonds 64
Polar Surface Area 172.34
LOGP Value 1.00      (Computed with XLOGP3)
-2.05      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 10
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): P9WI81  
Entrez Gene IDNCBI Entrez Gene ID: 45423973  887072  
ASDInformation of known allosteric effects of PDB entries
 
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