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Related entries of code: 4jmu
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1hvnRCSB PDB    PDBbind18aa, >1HVN:E|PDBID|CHAIN|... at 94%
1hvoRCSB PDB    PDBbind18aa, >1HVO:E|PDBID|CHAIN|... at 94%
2l4lRCSB PDB    PDBbind45aa, >2L4L:A|PDBID|CHAIN|... at 93%
2lyaRCSB PDB    PDBbind137aa, >2LYA:A|PDBID|CHAIN|... at 95%
2lybRCSB PDB    PDBbind137aa, >2LYB:A|PDBID|CHAIN|... at 95%
2m3zRCSB PDB    PDBbind55aa, >2M3Z:A|PDBID|CHAIN|... at 100%
2r05RCSB PDB    PDBbind11aa, >2R05:B|PDBID|CHAIN|... at 100%
2xdeRCSB PDB    PDBbind145aa, >2XDE:B|PDBID|CHAIN|... at 93%
4inbRCSB PDB    PDBbind146aa, >4INB:A|PDBID|CHAIN|... at 100%
4j93RCSB PDB    PDBbind146aa, >4J93:A|PDBID|CHAIN|... at 100%
4qnbRCSB PDB    PDBbind231aa, >4QNB:A|PDBID|CHAIN|... at 98%
4u0eRCSB PDB    PDBbind231aa, >4U0E:A|PDBID|CHAIN|... at 98%
4u0fRCSB PDB    PDBbind231aa, >4U0F:A|PDBID|CHAIN|... at 98%
4xrqRCSB PDB    PDBbind231aa, >4XRQ:A|PDBID|CHAIN|... at 96%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4jvqRCSB PDB    PDBbind1ML

Entry Information
PDB ID4jmu
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameGag-Pol polyprotein
Ligand Name1ML
EC.Number E.C.2.7.7.49; 2.7.7.7; 3.1.13.2
Resolution 2(Å)
Affinity (Kd/Ki/IC50)IC50=3.4uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference(2014) J.Med.Chem. Vol. 57: pp. 1944-1951
Ligand Properties
Formula C32H36N2O6
Molecular Weight 544.638
Exact Mass 544.257
No. of atoms 76
No. of bonds 79
Polar Surface Area 105.17
LOGP Value 7.16      (Computed with XLOGP3)
7.08      (Computed with Open Babel)
Drug likenessNo. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 4
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): P12497  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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