Browse entries in the PDBbind-CN Database

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Related entries of code: 4crj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3qbcRCSB PDB    PDBbind161aa, >3QBC_1|Chains... *
4ad6RCSB PDB    PDBbind161aa, >4AD6_1|Chains... 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
4m5jRCSB PDB    PDBbindYH5
5u13RCSB PDB    PDBbindYH5
Entry Information
PDB ID4crj
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameStaphylococcus aureus 7,8-Dihydro-6-hydroxymethylpterin- pyrophosphokinase
Ligand NameYH5
EC.Number E.C.2.7.6.3
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Kd=1.1uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Med.Chem. Vol. 57: pp. 9612-9626
Ligand Properties
Formula C14H13N5O3S
Molecular Weight 331.350
Exact Mass 331.074
No. of atoms 36
No. of bonds 38
Polar Surface Area 152.05
LOGP Value 1.15      (Computed with XLOGP3)
1.79      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
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 ACNo matched UniProt accession number (AC) found!
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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