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Related entries of code: 4daf
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3h21RCSB PDB    PDBbind297aa, >3H21_1|Chains... *
3h22RCSB PDB    PDBbind297aa, >3H22_1|Chains... at 100%
3h23RCSB PDB    PDBbind297aa, >3H23_1|Chains... at 100%
3h26RCSB PDB    PDBbind297aa, >3H26_1|Chains... at 100%
3h2aRCSB PDB    PDBbind297aa, >3H2A_1|Chains... at 100%
3h2cRCSB PDB    PDBbind297aa, >3H2C_1|Chains... at 100%
3h2fRCSB PDB    PDBbind297aa, >3H2F_1|Chains... at 100%
3h2mRCSB PDB    PDBbind297aa, >3H2M_1|Chains... at 100%
3h2nRCSB PDB    PDBbind297aa, >3H2N_1|Chains... at 100%
3h2oRCSB PDB    PDBbind297aa, >3H2O_1|Chains... at 100%
4d8aRCSB PDB    PDBbind297aa, >4D8A_1|Chains... at 100%
4d8zRCSB PDB    PDBbind297aa, >4D8Z_1|Chains... at 100%
4d9pRCSB PDB    PDBbind297aa, >4D9P_1|Chains... at 100%
4daiRCSB PDB    PDBbind297aa, >4DAI_1|Chains... at 100%
4db7RCSB PDB    PDBbind297aa, >4DB7_1|Chains... at 100%
4nl1RCSB PDB    PDBbind297aa, >4NL1_1|Chains... 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 ID4daf
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameDihydropteroate Synthase
Ligand Name0J4
EC.Number E.C.2.5.1.15
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Kd=0.076uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Chemmedchem Vol. 7: pp. 861-870
Ligand Properties
Formula C9H9N5O4
Molecular Weight 251.199
Exact Mass 251.065
No. of atoms 27
No. of bonds 28
Polar Surface Area 155.08
LOGP Value -0.16      (Computed with XLOGP3)
-0.23      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 9
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): Q81VW8  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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