Browse entries in the PDBbind-CN Database

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Related entries of code: 4k42
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1h1vRCSB PDB    PDBbind375aa, >1H1V_1|Chain... at 92%
1kxpRCSB PDB    PDBbind375aa, >1KXP_1|Chain... at 92%
2fxuRCSB PDB    PDBbind375aa, >2FXU_1|Chain... at 92%
3eksRCSB PDB    PDBbind375aa, >3EKS_1|Chain... at 98%
4eahRCSB PDB    PDBbind377aa, >4EAH_1|Chains... at 93%
4k43RCSB PDB    PDBbind375aa, >4K43_1|Chains... at 92%
4rwtRCSB PDB    PDBbind384aa, >4RWT_1|Chains... *
6qriRCSB PDB    PDBbind377aa, >6QRI_1|Chains... at 93%
6ox0RCSB PDB    PDBbind15aa, >6OX0_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4k42
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameActin, alpha skeletal muscle
Ligand NameNWM
EC.Number E.C.-.-.-.-
Resolution 2.9(Å)
Affinity (Kd/Ki/IC50)Kd=285nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Chemmedchem Vol. 9: pp. 2286-2293
Ligand Properties
Formula C32H49NO8
Molecular Weight 575.733
Exact Mass 575.346
No. of atoms 90
No. of bonds 90
Polar Surface Area 119.44
LOGP Value 4.26      (Computed with XLOGP3)
5.34      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 23
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 1
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): P68135  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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