Browse entries in the PDBbind-CN Database

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Related entries of code: 3my1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3blhRCSB PDB    PDBbind331aa, >3BLH_1|Chain... at 99%
3blrRCSB PDB    PDBbind331aa, >3BLR_1|Chain... at 99%
3lq5RCSB PDB    PDBbind331aa, >3LQ5_1|Chain... at 99%
3tn8RCSB PDB    PDBbind331aa, >3TN8_1|Chain... at 99%
3tnhRCSB PDB    PDBbind331aa, >3TNH_1|Chain... at 99%
4bcfRCSB PDB    PDBbind331aa, >4BCF_1|Chain... at 99%
4bcgRCSB PDB    PDBbind331aa, >4BCG_1|Chain... at 99%
4bchRCSB PDB    PDBbind331aa, >4BCH_1|Chain... at 99%
4bciRCSB PDB    PDBbind331aa, >4BCI_1|Chain... at 99%
4bcjRCSB PDB    PDBbind331aa, >4BCJ_1|Chain... at 99%
6gzhRCSB PDB    PDBbind326aa, >6GZH_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3h30RCSB PDB    PDBbindRFZ
3my5RCSB PDB    PDBbindRFZ

Entry Information
PDB ID3my1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCell division protein kinase 9, CDK9/cyclinT1
Ligand NameRFZ
EC.Number E.C.2.7.11.22
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)IC50=3.58uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Chem.Biol. Vol. 17: pp. 931-936
Ligand Properties
Formula C12H12Cl2N2O4
Molecular Weight 319.141
Exact Mass 318.017
No. of atoms 32
No. of bonds 34
Polar Surface Area 87.74
LOGP Value 1.08      (Computed with XLOGP3)
0.95      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
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): O60563  P50750  
Entrez Gene IDNCBI Entrez Gene ID: 904  1025  
ASDInformation of known allosteric effects of PDB entries

 
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