Browse entries in the PDBbind-CN Database

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Related entries of code: 1rry
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1rriRCSB PDB    PDBbind121aa, >1RRI_1|Chain... *
1rrwRCSB PDB    PDBbind121aa, >1RRW_1|Chain... at 100%
1rs2RCSB PDB    PDBbind121aa, >1RS2_1|Chain... at 100%
1rs4RCSB PDB    PDBbind121aa, >1RS4_1|Chain... at 100%
1rsdRCSB PDB    PDBbind121aa, >1RSD_1|Chain... at 100%
1rsiRCSB PDB    PDBbind121aa, >1RSI_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 ID1rry
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namedihydroneopterin aldolase
Ligand Name204
EC.Number E.C.4.1.2.25
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)IC50=80uM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference J.Med.Chem. v47 pp. 1709-18, 2004
Ligand Properties
Formula C7H9N3O3
Molecular Weight 183.165
Exact Mass 183.064
No. of atoms 22
No. of bonds 22
Polar Surface Area 98.07
LOGP Value -0.87      (Computed with XLOGP3)
0.11      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 6
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): P56740  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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