Browse entries in the PDBbind-CN Database

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Related entries of code: 3veh
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%
3st6RCSB PDB    PDBbind450aa, >3ST6_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5cwaRCSB PDB    PDBbind0GA
Entry Information
PDB ID3veh
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameIsochorismate synthase
Ligand Name0GA
EC.Number E.C.4.1.3; 5.4.4.2
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=11uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Biochemistry Vol. 51: pp. 4868-4879
Ligand Properties
Formula C11H14O6
Molecular Weight 242.225
Exact Mass 242.079
No. of atoms 31
No. of bonds 31
Polar Surface Area 104.06
LOGP Value 2.94      (Computed with XLOGP3)
0.73      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 3
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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