Browse entries in the PDBbind-CN Database

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Related entries of code: 2xel
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1lvkRCSB PDB    PDBbind762aa, >1LVK_1|Chain... at 97%
2xo8RCSB PDB    PDBbind776aa, >2XO8_1|Chain... at 99%
2y8iRCSB PDB    PDBbind758aa, >2Y8I_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 ID2xel
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMYOSIN-2 HEAVY CHAIN
Ligand NameIA2
EC.Number E.C.-.-.-.-
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)IC50=126.6uM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Biol.Chem. Vol. 286: pp. 29700
Ligand Properties
Formula C10H4Cl5NO
Molecular Weight 331.410
Exact Mass 328.874
No. of atoms 21
No. of bonds 22
Polar Surface Area 36.02
LOGP Value 5.49      (Computed with XLOGP3)
5.65      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 2
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): P08799  
Entrez Gene IDNCBI Entrez Gene ID: 8625606  
ASDInformation of known allosteric effects of PDB entries

 
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