Browse entries in the PDBbind-CN Database

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Related entries of code: 3qkm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3cquRCSB PDB    PDBbind342aa, >3CQU_1|Chain... at 93%
3cqwRCSB PDB    PDBbind342aa, >3CQW_1|Chain... at 93%
3mv5RCSB PDB    PDBbind342aa, >3MV5_1|Chain... at 93%
3mvhRCSB PDB    PDBbind342aa, >3MVH_1|Chain... at 93%
3ocbRCSB PDB    PDBbind341aa, >3OCB_1|Chains... at 93%
3ow4RCSB PDB    PDBbind341aa, >3OW4_1|Chains... at 93%
3qkkRCSB PDB    PDBbind341aa, >3QKK_1|Chain... at 93%
3qklRCSB PDB    PDBbind341aa, >3QKL_1|Chain... at 93%
4gv1RCSB PDB    PDBbind340aa, >4GV1_1|Chain... at 94%
6buuRCSB PDB    PDBbind337aa, >6BUU_1|Chains... at 94%
6ccyRCSB PDB    PDBbind343aa, >6CCY_1|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3qkm
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameRAC-alpha serine/threonine-protein kinase (S473D mutant)
Ligand NameSM9
EC.Number E.C.
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)IC50=38nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) Bioorg. Med. Chem. Lett. Vol. 21: pp. 2335-2340
Ligand Properties
Formula C31H44N5O4S
Molecular Weight 582.777
Exact Mass 582.311
No. of atoms 85
No. of bonds 89
Polar Surface Area 108.68
LOGP Value 3.94      (Computed with XLOGP3)
4.93      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 9
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): P31749  
Entrez Gene IDNCBI Entrez Gene ID: 207  
ASDInformation of known allosteric effects of PDB entries

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