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Related entries of code: 3st6
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%
3rv8RCSB PDB    PDBbind450aa, >3RV8_1|Chains... at 99%
3rv9RCSB PDB    PDBbind450aa, >3RV9_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 ID3st6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameIsochorismate synthase
Ligand NameRVE
EC.Number E.C.4.1.3; 5.4.4.2
Resolution 1.75(Å)
Affinity (Kd/Ki/IC50)Ki=240uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Biochemistry.Vol. 51: pp. 4868-4879
Ligand Properties
Formula C10H8O6
Molecular Weight 224.167
Exact Mass 224.032
No. of atoms 24
No. of bonds 24
Polar Surface Area 100.9
LOGP Value 3.00      (Computed with XLOGP3)
0.12      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 1
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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