Browse entries in the PDBbind-CN Database

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Related entries of code: 2d06
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3qvuRCSB PDB    PDBbind295aa, >3QVU_1|Chains... at 97%
3qvvRCSB PDB    PDBbind295aa, >3QVV_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1a52RCSB PDB    PDBbindEST
1g50RCSB PDB    PDBbindEST
1jglRCSB PDB    PDBbindEST
1lhuRCSB PDB    PDBbindEST
1qktRCSB PDB    PDBbindEST
1qkuRCSB PDB    PDBbindEST
2j7xRCSB PDB    PDBbindEST
4pxmRCSB PDB    PDBbindEST
Entry Information
PDB ID2d06
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namesulfotransferase 1a1
Ligand NameEST
EC.Number E.C.2.8.2.1
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Ki=83.2uM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference J.Biol.Chem. v280 pp. 41482-6, 2005
Ligand Properties
Formula C18H24O2
Molecular Weight 272.382
Exact Mass 272.178
No. of atoms 44
No. of bonds 47
Polar Surface Area 40.46
LOGP Value 3.90      (Computed with XLOGP3)
3.61      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 4
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): P50225  
Entrez Gene IDNCBI Entrez Gene ID: 6817  
ASDInformation of known allosteric effects of PDB entries
 
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