Browse entries in the PDBbind-CN Database

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Related entries of code: 1ao8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1bzfRCSB PDB    PDBbind162aa, >1BZF_1|Chain... at 100%
1disRCSB PDB    PDBbind162aa, >1DIS_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1dhiRCSB PDB    PDBbindMTX
1dhjRCSB PDB    PDBbindMTX
2drcRCSB PDB    PDBbindMTX
2qk8RCSB PDB    PDBbindMTX
3eigRCSB PDB    PDBbindMTX
3qxtRCSB PDB    PDBbindMTX
3qxvRCSB PDB    PDBbindMTX
4kn0RCSB PDB    PDBbindMTX
5j7wRCSB PDB    PDBbindMTX
Entry Information
PDB ID1ao8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameLactobacillus casei dihydrofolate reductase
Ligand NameMTX
EC.Number E.C.1.5.1.3
Resolution NMR
Affinity (Kd/Ki/IC50)IC50=6nM
Release Year1998
Protein/NA SequenceCheck fasta file
Primary Reference (2007) J. Med. Chem., Vol.50, pp.3283-3289
Ligand Properties
Formula C20H24N8O5
Molecular Weight 456.455
Exact Mass 456.187
No. of atoms 57
No. of bonds 59
Polar Surface Area 203.17
LOGP Value 4.16      (Computed with XLOGP3)
1.44      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 3
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): P00381  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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