Browse entries in the PDBbind-CN Database

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Related entries of code: 4eb8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1pf7RCSB PDB    PDBbind289aa, >1PF7_1|Chain... at 98%
1pwyRCSB PDB    PDBbind288aa, >1PWY_1|Chain... at 98%
1rr6RCSB PDB    PDBbind289aa, >1RR6_1|Chain... at 98%
1rt9RCSB PDB    PDBbind289aa, >1RT9_1|Chain... at 98%
1v2hRCSB PDB    PDBbind288aa, >1V2H_1|Chain... at 98%
1v41RCSB PDB    PDBbind288aa, >1V41_1|Chain... at 98%
2oc4RCSB PDB    PDBbind289aa, >2OC4_1|Chain... at 98%
2oc9RCSB PDB    PDBbind289aa, >2OC9_1|Chain... at 98%
2on6RCSB PDB    PDBbind289aa, >2ON6_1|Chain... at 98%
2q7oRCSB PDB    PDBbind289aa, >2Q7O_1|Chain... at 98%
3bgsRCSB PDB    PDBbind289aa, >3BGS_1|Chain... at 98%
3d1vRCSB PDB    PDBbind289aa, >3D1V_1|Chain... at 98%
3inyRCSB PDB    PDBbind289aa, >3INY_1|Chain... at 98%
3k8oRCSB PDB    PDBbind289aa, >3K8O_1|Chains... at 98%
3k8qRCSB PDB    PDBbind289aa, >3K8Q_1|Chain... at 98%
4earRCSB PDB    PDBbind324aa, >4EAR_1|Chains... *
5etjRCSB PDB    PDBbind324aa, >5ETJ_1|Chains... at 98%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4earRCSB PDB    PDBbindIM5
5etjRCSB PDB    PDBbindIM5
6aqsRCSB PDB    PDBbindIM5
Entry Information
PDB ID4eb8
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePurine nucleoside phosphorylase (W16Y, W94Y, W178Y, H257W mutation)
Ligand NameIM5
EC.Number E.C.2.4.2.1
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Ki=151pM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Chem.Biol. Vol. 20: pp. 212-222
Ligand Properties
Formula C12H19N5O3
Molecular Weight 281.311
Exact Mass 281.149
No. of atoms 39
No. of bonds 41
Polar Surface Area 133.71
LOGP Value -0.36      (Computed with XLOGP3)
-1.23      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
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 ACUniProt accession number (AC): P00491  
Entrez Gene IDNCBI Entrez Gene ID: 4860  
ASDInformation of known allosteric effects of PDB entries
 
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