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Related entries of code: 3rv6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3rv7RCSB PDB    PDBbind450aa, >3RV7_1|Chains... at 99%
3rv8RCSB PDB    PDBbind450aa, >3RV8_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 ID3rv6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameIsochorismate synthase
Ligand NameRVA/VAE
EC.Number E.C.4.1.3; 5.4.4.2
Resolution 2.04(Å)
Affinity (Kd/Ki/IC50)Ki=21uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Biochemistry Vol. 51: pp. 4868-4879
Ligand Properties
Formula C16H12O6
Molecular Weight 300.263
Exact Mass 300.063
No. of atoms 34
No. of bonds 35
Polar Surface Area 104.06
LOGP Value 5.30      (Computed with XLOGP3)
2.59      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 4
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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