Browse entries in the PDBbind-CN Database

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Related entries of code: 6b16
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3fxzRCSB PDB    PDBbind297aa, >3FXZ_1|Chain... at 100%
3fy0RCSB PDB    PDBbind297aa, >3FY0_1|Chain... at 100%
4dawRCSB PDB    PDBbind297aa, >4DAW_1|Chain... at 100%
4eqcRCSB PDB    PDBbind301aa, >4EQC_1|Chain... *
4o0rRCSB PDB    PDBbind300aa, >4O0R_1|Chains... at 98%
4o0tRCSB PDB    PDBbind300aa, >4O0T_1|Chains... at 98%
4p90RCSB PDB    PDBbind297aa, >4P90_1|Chains... at 98%
4zjiRCSB PDB    PDBbind299aa, >4ZJI_1|Chains... at 98%
4zjjRCSB PDB    PDBbind299aa, >4ZJJ_1|Chains... at 98%
4zloRCSB PDB    PDBbind297aa, >4ZLO_1|Chains... at 99%
4zy4RCSB PDB    PDBbind301aa, >4ZY4_1|Chains... at 98%
4zy5RCSB PDB    PDBbind301aa, >4ZY5_1|Chains... at 98%
4zy6RCSB PDB    PDBbind301aa, >4ZY6_1|Chains... at 98%
5deyRCSB PDB    PDBbind297aa, >5DEY_1|Chains... at 98%
5dfpRCSB PDB    PDBbind297aa, >5DFP_1|Chain... at 100%
5imeRCSB PDB    PDBbind300aa, >5IME_1|Chains... at 98%
5kbqRCSB PDB    PDBbind289aa, >5KBQ_1|Chains... at 98%
5kbrRCSB PDB    PDBbind289aa, >5KBR_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6b16
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namep21-activated kinase-1
Ligand NameC7Y
EC.Number E.C.-.-.-.-
Resolution 2.29(Å)
Affinity (Kd/Ki/IC50)Ki=32nM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2016) Bioorg. Med. Chem. Lett. Vol. 26: pp. 3518-3524
Ligand Properties
Formula C19H20N8
Molecular Weight 360.416
Exact Mass 360.181
No. of atoms 47
No. of bonds 51
Polar Surface Area 107.2
LOGP Value 2.67      (Computed with XLOGP3)
4.02      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
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): Q13153  
Entrez Gene IDNCBI Entrez Gene ID: 5058  
ASDInformation of known allosteric effects of PDB entries
 
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