Browse entries in the PDBbind-CN Database

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Related entries of code: 4q3r
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4q3qRCSB PDB    PDBbind385aa, >4Q3Q_1|Chains... *
4q3sRCSB PDB    PDBbind385aa, >4Q3S_1|Chains... at 100%
4q3tRCSB PDB    PDBbind385aa, >4Q3T_1|Chains... at 100%
4q3uRCSB PDB    PDBbind385aa, >4Q3U_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
5hjaRCSB PDB    PDBbindXA2
Entry Information
PDB ID4q3r
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameArginase
Ligand NameXA2
EC.Number E.C.3.5.3.1
Resolution 2.17(Å)
Affinity (Kd/Ki/IC50)Kd=0.54uM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Biochemistry Vol. 53: pp. 4671-4684
Ligand Properties
Formula C18H30BCl2N2O5
Molecular Weight 436.158
Exact Mass 435.162
No. of atoms 58
No. of bonds 59
Polar Surface Area 130.07
LOGP Value 0.77      (Computed with XLOGP3)
1.38      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 7
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): Q6WVP6  
Entrez Gene IDNCBI Entrez Gene ID: 8340528  
ASDInformation of known allosteric effects of PDB entries
 
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