Browse entries in the PDBbind-CN Database

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Related entries of code: 4app
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2x4zRCSB PDB    PDBbind296aa, >2X4Z_1|Chain... at 98%
4njdRCSB PDB    PDBbind296aa, >4NJD_1|Chain... at 98%
4o0vRCSB PDB    PDBbind293aa, >4O0V_1|Chain... at 99%
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
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4app
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHuman p21-Activated Kinase 4, PAK4
Ligand NameN53
EC.Number E.C.
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Ki=0.064uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 4728-4739
Ligand Properties
Formula C33H37N6O3
Molecular Weight 565.685
Exact Mass 565.293
No. of atoms 79
No. of bonds 84
Polar Surface Area 95
LOGP Value 4.25      (Computed with XLOGP3)
5.58      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 6
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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