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Related entries of code: 1u71
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1kmvRCSB PDB    PDBbind186aa, >1KMV_1|Chain... *
3eigRCSB PDB    PDBbind186aa, >3EIG_1|Chain... at 98%
3n0hRCSB PDB    PDBbind186aa, >3N0H_1|Chain... at 98%
3oafRCSB PDB    PDBbind186aa, >3OAF_1|Chain... at 98%
3s3vRCSB PDB    PDBbind186aa, >3S3V_1|Chain... at 98%
3s7aRCSB PDB    PDBbind186aa, >3S7A_1|Chain... at 100%
4g95RCSB PDB    PDBbind186aa, >4G95_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID1u71
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameLeu22Arg Variant Human Dihydrofolate Reductase
Ligand NameMXA
EC.Number E.C.1.5.1.3
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Ki=33nM
Release Year2005
Protein/NA SequenceCheck fasta file
Primary Reference (1995) J. Med. Chem., Vol.38, pp.745-752
Ligand Properties
Formula C17H19N5O2
Molecular Weight 325.365
Exact Mass 325.154
No. of atoms 43
No. of bonds 45
Polar Surface Area 109.17
LOGP Value 2.34      (Computed with XLOGP3)
3.27      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
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): P00374  
Entrez Gene IDNCBI Entrez Gene ID: 1719  
ASDInformation of known allosteric effects of PDB entries
 
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