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Related entries of code: 2gvd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1cs4RCSB PDB    PDBbind212aa, >1CS4_2|Chain... *
1tl7RCSB PDB    PDBbind212aa, >1TL7_2|Chain... at 100%
1u0hRCSB PDB    PDBbind212aa, >1U0H_2|Chain... at 100%
2gvzRCSB PDB    PDBbind212aa, >2GVZ_2|Chain... at 100%
3c14RCSB PDB    PDBbind212aa, >3C14_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1i5dRCSB PDB    PDBbind128
2pmkRCSB PDB    PDBbind128
5a3sRCSB PDB    PDBbind128
5xw6RCSB PDB    PDBbind128

Entry Information
PDB ID2gvd
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAdenylate cyclase
Ligand Name128
EC.Number E.C.4.6.1.1
Resolution 2.9(Å)
Affinity (Kd/Ki/IC50)Ki=100nM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference Molecular Pharmacology. 2006, 70, 878-886.
Ligand Properties
Formula C16H20N8O19P3
Molecular Weight 721.293
Exact Mass 721.006
No. of atoms 66
No. of bonds 70
Polar Surface Area 444.84
LOGP Value -5.15      (Computed with XLOGP3)
-0.05      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 27
No. of Rings: 5
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): P04896  P26769  P30803  
Entrez Gene IDNCBI Entrez Gene ID: 281793  81636  403859  
ASDInformation of known allosteric effects of PDB entries

 
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