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Related entries of code: 3f69
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2fumRCSB PDB    PDBbind299aa, >2FUM_1|Chains... at 93%
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
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3f69
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSerine/threonine-protein kinase pknB(L33D, M145L, M155V)
Ligand NameXDR
EC.Number E.C.2.7.11.1
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)IC50=1uM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Embo J. Vol. 27: pp. 3186-3197
Ligand Properties
Formula C27H21N3O5
Molecular Weight 467.473
Exact Mass 467.148
No. of atoms 56
No. of bonds 63
Polar Surface Area 94.72
LOGP Value 2.78      (Computed with XLOGP3)
3.98      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 8
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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