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Related entries of code: 2v2v
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2v2qRCSB PDB    PDBbind271aa, >2V2Q_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID2v2v
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namekinase IspE from Escherichia coli
Ligand NameV12
EC.Number E.C.2.7.1.148
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Ki=85.8uM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Chemmedchem Vol. 3: pp. 91-101
Ligand Properties
Formula C18H20N6O5
Molecular Weight 400.389
Exact Mass 400.150
No. of atoms 49
No. of bonds 52
Polar Surface Area 169.11
LOGP Value -1.02      (Computed with XLOGP3)
-1.00      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 11
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): O67060  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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