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Related entries of code: 1q91
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4yikRCSB PDB    PDBbind201aa, >4YIK_1|Chain... at 100%
6g22RCSB PDB    PDBbind202aa, >6G22_1|Chain... *
6g2lRCSB PDB    PDBbind202aa, >6G2L_1|Chain... at 100%
6g2mRCSB PDB    PDBbind202aa, >6G2M_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 ID1q91
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Name5(3)-deoxyribonucleotidase
Ligand NameDPB
EC.Number E.C.3.1.3.5
Resolution 1.6(Å)
Affinity (Kd/Ki/IC50)Ki=70uM
Release Year2004
Protein/NA SequenceCheck fasta file
Primary Reference Mol.Pharmacol. v65 pp. 860-7, 2004
Ligand Properties
Formula C17H20N2O8P
Molecular Weight 411.323
Exact Mass 411.096
No. of atoms 48
No. of bonds 51
Polar Surface Area 156.83
LOGP Value -1.10      (Computed with XLOGP3)
0.10      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
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): Q9NPB1  
Entrez Gene IDNCBI Entrez Gene ID: 56953  
ASDInformation of known allosteric effects of PDB entries

 
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