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Related entries of code: 3rv8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3rv6RCSB PDB    PDBbind450aa, >3RV6_1|Chains... at 99%
3rv7RCSB PDB    PDBbind450aa, >3RV7_1|Chains... at 99%
3rv9RCSB PDB    PDBbind450aa, >3RV9_1|Chains... at 99%
3st6RCSB PDB    PDBbind450aa, >3ST6_1|Chains... at 99%
3vehRCSB PDB    PDBbind451aa, >3VEH_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 ID3rv8
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameIsochorismate synthase
Ligand NameRVC/VCE
EC.Number E.C.4.1.3; 5.4.4.2
Resolution 2.29(Å)
Affinity (Kd/Ki/IC50)Ki=12uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Biochemistry.Vol. 51: pp. 4868-4879
Ligand Properties
Formula C13H10O6
Molecular Weight 262.215
Exact Mass 262.048
No. of atoms 29
No. of bonds 30
Polar Surface Area 100.9
LOGP Value 3.49      (Computed with XLOGP3)
0.68      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 6
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): P9WFX1  
Entrez Gene IDNCBI Entrez Gene ID: 885823  
ASDInformation of known allosteric effects of PDB entries
 
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