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Related entries of code: 4ie3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1pq3RCSB PDB    PDBbind306aa, >1PQ3_1|Chains... *
4hzeRCSB PDB    PDBbind306aa, >4HZE_1|Chains... at 100%
4i06RCSB PDB    PDBbind306aa, >4I06_1|Chains... at 100%
4ie2RCSB PDB    PDBbind306aa, >4IE2_1|Chains... at 100%
4ixuRCSB PDB    PDBbind306aa, >4IXU_1|Chains... at 100%
4ixvRCSB PDB    PDBbind306aa, >4IXV_1|Chains... at 100%
6q39RCSB PDB    PDBbind306aa, >6Q39_1|Chains... at 100%
6q37RCSB PDB    PDBbind306aa, >6Q37_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 ID4ie3
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameArginase-2, mitochondrial
Ligand Name1EE
EC.Number E.C.3.5.3.1
Resolution 2.35(Å)
Affinity (Kd/Ki/IC50)IC50=980nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Bioorg.Med.Chem.Lett. Vol. 23: pp. 2027-2030
Ligand Properties
Formula C13H32BN2O6
Molecular Weight 323.214
Exact Mass 323.235
No. of atoms 54
No. of bonds 54
Polar Surface Area 128.3
LOGP Value -2.50      (Computed with XLOGP3)
-2.40      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 1
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): P78540  
Entrez Gene IDNCBI Entrez Gene ID: 384  
ASDInformation of known allosteric effects of PDB entries

 
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