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Related entries of code: 3vd9
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1px4RCSB PDB    PDBbind1023aa, >1PX4_1|Chains... at 99%
3dyoRCSB PDB    PDBbind1023aa, >3DYO_1|Chains... at 99%
3i3bRCSB PDB    PDBbind1023aa, >3I3B_1|Chains... at 99%
3i3dRCSB PDB    PDBbind1023aa, >3I3D_1|Chains... at 99%
3muzRCSB PDB    PDBbind1052aa, >3MUZ_1|Chains... *
3mv0RCSB PDB    PDBbind1052aa, >3MV0_1|Chains... at 100%
3t08RCSB PDB    PDBbind1052aa, >3T08_1|Chains... at 99%
3t09RCSB PDB    PDBbind1052aa, >3T09_1|Chains... at 99%
3t0bRCSB PDB    PDBbind1052aa, >3T0B_1|Chains... at 99%
3t0dRCSB PDB    PDBbind1052aa, >3T0D_1|Chains... at 99%
3t2pRCSB PDB    PDBbind1052aa, >3T2P_1|Chains... at 99%
3t2qRCSB PDB    PDBbind1052aa, >3T2Q_1|Chains... at 99%
3vd4RCSB PDB    PDBbind1052aa, >3VD4_1|Chains... at 99%
3vd7RCSB PDB    PDBbind1052aa, >3VD7_1|Chains... at 99%
3vdbRCSB PDB    PDBbind1052aa, >3VDB_1|Chains... at 99%
3vdcRCSB PDB    PDBbind1052aa, >3VDC_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1px4RCSB PDB    PDBbindIPT
3dyoRCSB PDB    PDBbindIPT
3i3dRCSB PDB    PDBbindIPT
3muzRCSB PDB    PDBbindIPT
3t08RCSB PDB    PDBbindIPT
3t0bRCSB PDB    PDBbindIPT
3t2pRCSB PDB    PDBbindIPT
3vd4RCSB PDB    PDBbindIPT
3vdcRCSB PDB    PDBbindIPT
4oueRCSB PDB    PDBbindIPT
Entry Information
PDB ID3vd9
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameE. coli (lacZ) beta-galactosidase (N460S mutant)
Ligand NameIPT
EC.Number E.C.3.2.1.23
Resolution 2.05(Å)
Affinity (Kd/Ki/IC50)Ki=0.10mM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Arch.Biochem.Biophys. Vol. 521: pp. 51-61
Ligand Properties
Formula C9H18O5S
Molecular Weight 238.301
Exact Mass 238.087
No. of atoms 33
No. of bonds 33
Polar Surface Area 115.45
LOGP Value -0.46      (Computed with XLOGP3)
-1.07      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 5
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): P00722  
Entrez Gene IDNCBI Entrez Gene ID: 945006  
ASDInformation of known allosteric effects of PDB entries
 
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