Browse entries in the PDBbind-CN Database

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Related entries of code: 1kll
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2a4wRCSB PDB    PDBbind138aa, >2A4W_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1kll
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namemitomycin-binding protein
Ligand Name_MC
EC.Number E.C.-.-.-.-
Resolution 1.5(Å)
Affinity (Kd/Ki/IC50)Kd=6.3uM
Release Year2002
Protein/NA SequenceCheck fasta file
Primary Reference Structure v10 pp. 933-42, 2002
Ligand Properties
Formula C14H18N4O5
Molecular Weight 322.317
Exact Mass 322.128
No. of atoms 41
No. of bonds 43
Polar Surface Area 175.06
LOGP Value -2.66      (Computed with XLOGP3)
0.49      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 9
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): O05205  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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