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Related entries of code: 4raq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1bzyRCSB PDB    PDBbind217aa, >1BZY_1|Chains... at 100%
1d6nRCSB PDB    PDBbind214aa, >1D6N_1|Chains... at 99%
3gepRCSB PDB    PDBbind217aa, >3GEP_1|Chains... at 100%
3ggcRCSB PDB    PDBbind217aa, >3GGC_1|Chains... at 100%
3ggjRCSB PDB    PDBbind217aa, >3GGJ_1|Chains... at 100%
4ijqRCSB PDB    PDBbind223aa, >4IJQ_1|Chains... *
4rabRCSB PDB    PDBbind217aa, >4RAB_1|Chains... at 100%
4racRCSB PDB    PDBbind217aa, >4RAC_1|Chains... at 100%
4radRCSB PDB    PDBbind217aa, >4RAD_1|Chains... at 100%
4ranRCSB PDB    PDBbind217aa, >4RAN_1|Chains... at 100%
4raoRCSB PDB    PDBbind217aa, >4RAO_1|Chains... at 100%
5brnRCSB PDB    PDBbind218aa, >5BRN_1|Chains... at 98%
5bskRCSB PDB    PDBbind218aa, >5BSK_1|Chains... at 98%
5w8vRCSB PDB    PDBbind215aa, >5W8V_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID4raq
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHypoxanthine-guanine phosphoribosyltransferase, HGPRT
Ligand Name3L8
EC.Number E.C.2.1.2.8
Resolution 2.53(Å)
Affinity (Kd/Ki/IC50)Ki=0.19uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) J.Med.Chem. Vol. 58: pp. 827-846
Ligand Properties
Formula C12H24N5O8P2
Molecular Weight 428.295
Exact Mass 428.110
No. of atoms 51
No. of bonds 52
Polar Surface Area 225.8
LOGP Value -6.87      (Computed with XLOGP3)
-3.54      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 13
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): P00492  
Entrez Gene IDNCBI Entrez Gene ID: 3251  
ASDInformation of known allosteric effects of PDB entries
 
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