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Related entries of code: 3hvk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1h1dRCSB PDB    PDBbind221aa, >1H1D:A|PDBID|CHAIN|... at 100%
2zvjRCSB PDB    PDBbind223aa, >2ZVJ:A|PDBID|CHAIN|... *
3hvhRCSB PDB    PDBbind221aa, >3HVH:A|PDBID|CHAIN|... at 100%
3hviRCSB PDB    PDBbind221aa, >3HVI:A|PDBID|CHAIN|... at 100%
3hvjRCSB PDB    PDBbind221aa, >3HVJ:B|PDBID|CHAIN|... at 100%
3nw9RCSB PDB    PDBbind221aa, >3NW9:A|PDBID|CHAIN|... at 100%
3nwbRCSB PDB    PDBbind221aa, >3NWB:A|PDBID|CHAIN|... at 100%
3nweRCSB PDB    PDBbind221aa, >3NWE:A|PDBID|CHAIN|... at 99%
3oe4RCSB PDB    PDBbind221aa, >3OE4:A|PDBID|CHAIN|... at 99%
3oe5RCSB PDB    PDBbind221aa, >3OE5:A|PDBID|CHAIN|... at 99%
3ozrRCSB PDB    PDBbind221aa, >3OZR:A|PDBID|CHAIN|... at 99%
3ozsRCSB PDB    PDBbind221aa, >3OZS:A|PDBID|CHAIN|... at 99%
3oztRCSB PDB    PDBbind221aa, >3OZT:A|PDBID|CHAIN|... at 99%
3r6tRCSB PDB    PDBbind221aa, >3R6T:A|PDBID|CHAIN|... at 99%
3s68RCSB PDB    PDBbind221aa, >3S68:A|PDBID|CHAIN|... at 100%
3u81RCSB PDB    PDBbind221aa, >3U81:A|PDBID|CHAIN|... at 99%
4p58RCSB PDB    PDBbind212aa, >4P58:A|PDBID|CHAIN|... at 97%
4pynRCSB PDB    PDBbind221aa, >4PYN:A|PDBID|CHAIN|... at 99%
4pyoRCSB PDB    PDBbind221aa, >4PYO:B|PDBID|CHAIN|... at 99%
4pyqRCSB PDB    PDBbind221aa, >4PYQ:B|PDBID|CHAIN|... at 99%
5k03RCSB PDB    PDBbind214aa, >5K03:A|PDBID|CHAIN|... at 99%
5k05RCSB PDB    PDBbind214aa, >5K05:B|PDBID|CHAIN|... at 98%
5k09RCSB PDB    PDBbind217aa, >5K09:X|PDBID|CHAIN|... at 98%
5k0bRCSB PDB    PDBbind218aa, >5K0B:H|PDBID|CHAIN|... at 98%
5k0cRCSB PDB    PDBbind215aa, >5K0C:B|PDBID|CHAIN|... at 98%
5k0fRCSB PDB    PDBbind219aa, >5K0F:B|PDBID|CHAIN|... at 98%
5k0jRCSB PDB    PDBbind220aa, >5K0J:B|PDBID|CHAIN|... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID3hvk
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameCatechol O-methyltransferase
Ligand Name719
EC.Number E.C.2.1.1.6
Resolution 1.3(Å)
Affinity (Kd/Ki/IC50)Ki=3nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference(2009) Angew.Chem.Int.Ed.Engl.
Ligand Properties
Formula C27H25FN6O7
Molecular Weight 564.522
Exact Mass 564.177
No. of atoms 66
No. of bonds 70
Polar Surface Area 188.79
LOGP Value -0.06      (Computed with XLOGP3)
0.29      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 5
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): P22734  
Entrez Gene IDNCBI Entrez Gene ID: 24267  
ASDInformation of known allosteric effects of PDB entries

 
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