Browse entries in the PDBbind-CN Database

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Related entries of code: 4jrg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ttvRCSB PDB    PDBbind107aa, >1TTV_1|Chain... *
4ipfRCSB PDB    PDBbind85aa, >4IPF_1|Chain... at 100%
4j3eRCSB PDB    PDBbind86aa, >4J3E_1|Chain... at 98%
4j74RCSB PDB    PDBbind86aa, >4J74_1|Chain... at 98%
4j7dRCSB PDB    PDBbind86aa, >4J7D_1|Chain... at 98%
4j7eRCSB PDB    PDBbind86aa, >4J7E_1|Chain... at 98%
4jscRCSB PDB    PDBbind86aa, >4JSC_1|Chains... at 98%
4lwtRCSB PDB    PDBbind86aa, >4LWT_1|Chain... at 98%
4lwuRCSB PDB    PDBbind85aa, >4LWU_1|Chain... at 100%
4lwvRCSB PDB    PDBbind85aa, >4LWV_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 ID4jrg
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameE3 ubiquitin-protein ligase Mdm2 (I50L, P92H, L95I mutation)
Ligand NameI09
EC.Number E.C.6.3.2
Resolution 1.9(Å)
Affinity (Kd/Ki/IC50)IC50=196nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 5979-5983
Ligand Properties
Formula C27H34Cl2N3O3
Molecular Weight 519.483
Exact Mass 518.198
No. of atoms 69
No. of bonds 71
Polar Surface Area 109.96
LOGP Value 4.37      (Computed with XLOGP3)
5.11      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 6
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): P56273  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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