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Related entries of code: 4gv1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3cquRCSB PDB    PDBbind342aa, >3CQU:A|PDBID|CHAIN|... at 93%
3cqwRCSB PDB    PDBbind342aa, >3CQW:A|PDBID|CHAIN|... at 93%
3mv5RCSB PDB    PDBbind342aa, >3MV5:A|PDBID|CHAIN|... at 93%
3mvhRCSB PDB    PDBbind342aa, >3MVH:A|PDBID|CHAIN|... at 93%
3ocbRCSB PDB    PDBbind341aa, >3OCB:B|PDBID|CHAIN|... at 93%
3ow4RCSB PDB    PDBbind341aa, >3OW4:B|PDBID|CHAIN|... at 93%
3qkkRCSB PDB    PDBbind341aa, >3QKK:A|PDBID|CHAIN|... at 93%
3qklRCSB PDB    PDBbind341aa, >3QKL:A|PDBID|CHAIN|... at 93%
3qkmRCSB PDB    PDBbind341aa, >3QKM:A|PDBID|CHAIN|... at 93%
6buuRCSB PDB    PDBbind337aa, >6BUU:B|PDBID|CHAIN|... at 94%
6ccyRCSB PDB    PDBbind343aa, >6CCY:A|PDBID|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 ID4gv1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameRAC-alpha serine/threonine-protein kinase
Ligand Name0XZ
EC.Number E.C.2.7.11.1
Resolution 1.49(Å)
Affinity (Kd/Ki/IC50)IC50=3nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference(2013) J.Med.Chem. Vol. 56: pp. 2059-2073
Ligand Properties
Formula C21H26ClN6O2
Molecular Weight 429.923
Exact Mass 429.181
No. of atoms 56
No. of bonds 59
Polar Surface Area 121.78
LOGP Value 1.70      (Computed with XLOGP3)
1.89      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
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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