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Related entries of code: 4o0v
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2x4zRCSB PDB    PDBbind296aa, >2X4Z_1|Chain... at 98%
4appRCSB PDB    PDBbind296aa, >4APP_1|Chain... at 98%
4njdRCSB PDB    PDBbind296aa, >4NJD_1|Chain... at 98%
4o0xRCSB PDB    PDBbind293aa, >4O0X_1|Chain... at 99%
4o0yRCSB PDB    PDBbind293aa, >4O0Y_1|Chain... at 99%
5bmsRCSB PDB    PDBbind293aa, >5BMS_1|Chain... at 99%
5i0bRCSB PDB    PDBbind296aa, >5I0B_1|Chain... at 98%
5veeRCSB PDB    PDBbind319aa, >5VEE_1|Chain... at 100%
5xvaRCSB PDB    PDBbind293aa, >5XVA_1|Chain... at 99%
5xvfRCSB PDB    PDBbind290aa, >5XVF_1|Chain... at 99%
5xvgRCSB PDB    PDBbind293aa, >5XVG_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4o0tRCSB PDB    PDBbind2OL
Entry Information
PDB ID4o0v
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSerine/threonine-protein kinase PAK 1
Ligand Name2OL
EC.Number E.C.2.7.11.1
Resolution 2.8(Å)
Affinity (Kd/Ki/IC50)Ki=3.3nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Med.Chem. Vol. 57: pp. 1033-1045
Ligand Properties
Formula C22H26N6O2
Molecular Weight 406.481
Exact Mass 406.212
No. of atoms 56
No. of bonds 59
Polar Surface Area 111.11
LOGP Value 2.64      (Computed with XLOGP3)
3.16      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
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): O96013  
Entrez Gene IDNCBI Entrez Gene ID: 10298  
ASDInformation of known allosteric effects of PDB entries
 
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