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Related entries of code: 1drv
Entries with 90% protein sequence similarity cutoff in PDBbind
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No similar entries are found!
Complexes with the same small molecule ligand
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No complexes with the same small molecule ligand are found!

Entry Information
PDB ID1drv
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameDIHYDRODIPICOLINATE REDUCTASE
Ligand NameA3D
EC.Number E.C.1.3.1.26
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Kd=0.29uM
Release Year1997
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry. 1996, 35, 13294-13302.
Ligand Properties
Formula C22H32N6O14P2
Molecular Weight 666.469
Exact Mass 666.145
No. of atoms 76
No. of bonds 80
Polar Surface Area 325.1
LOGP Value -5.13      (Computed with XLOGP3)
-1.94      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 20
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): P04036  
Entrez Gene IDNCBI Entrez Gene ID: 944762  
ASDInformation of known allosteric effects of PDB entries

 
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