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Related entries of code: 3qbc
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4ad6RCSB PDB    PDBbind161aa, >4AD6_1|Chains... at 100%
4crjRCSB PDB    PDBbind161aa, >4CRJ_1|Chain... at 100%
4cwbRCSB PDB    PDBbind161aa, >4CWB_1|Chain... at 100%
5etqRCSB PDB    PDBbind161aa, >5ETQ_1|Chains... at 100%
5etrRCSB PDB    PDBbind161aa, >5ETR_1|Chains... at 100%
5etsRCSB PDB    PDBbind161aa, >5ETS_1|Chains... at 100%
5ettRCSB PDB    PDBbind161aa, >5ETT_1|Chains... at 100%
5etvRCSB PDB    PDBbind161aa, >5ETV_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 ID3qbc
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Name2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
Ligand NameB55
EC.Number E.C.2.7.6.3
Resolution 1.65(Å)
Affinity (Kd/Ki/IC50)Kd=10.8uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Plos One Vol. 7: pp. e29444-e29444
Ligand Properties
Formula C5H6N5OS
Molecular Weight 184.199
Exact Mass 184.029
No. of atoms 18
No. of bonds 19
Polar Surface Area 140.5
LOGP Value 0.69      (Computed with XLOGP3)
-0.48      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
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): A0A0H3JXR3  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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