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Related entries of code: 4hww
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1wvaRCSB PDB    PDBbind322aa, >1WVA_1|Chains... at 100%
2aebRCSB PDB    PDBbind322aa, >2AEB_1|Chains... at 100%
2pllRCSB PDB    PDBbind322aa, >2PLL_1|Chains... at 100%
3e6kRCSB PDB    PDBbind322aa, >3E6K_1|Chains... at 99%
3e6vRCSB PDB    PDBbind322aa, >3E6V_1|Chains... at 99%
3f80RCSB PDB    PDBbind322aa, >3F80_1|Chains... at 100%
3kv2RCSB PDB    PDBbind322aa, >3KV2_1|Chains... at 100%
3lp4RCSB PDB    PDBbind322aa, >3LP4_1|Chains... at 100%
3lp7RCSB PDB    PDBbind322aa, >3LP7_1|Chains... at 100%
3mfvRCSB PDB    PDBbind322aa, >3MFV_1|Chains... at 100%
3mfwRCSB PDB    PDBbind322aa, >3MFW_1|Chains... at 100%
3mjlRCSB PDB    PDBbind322aa, >3MJL_1|Chains... at 100%
3sjtRCSB PDB    PDBbind322aa, >3SJT_1|Chains... at 100%
3skkRCSB PDB    PDBbind322aa, >3SKK_1|Chains... at 100%
4fciRCSB PDB    PDBbind322aa, >4FCI_1|Chains... at 100%
4fckRCSB PDB    PDBbind322aa, >4FCK_1|Chains... at 100%
4hxqRCSB PDB    PDBbind314aa, >4HXQ_1|Chains... at 100%
6qafRCSB PDB    PDBbind342aa, >6QAF_1|Chains... at 100%
6q92RCSB PDB    PDBbind342aa, >6Q92_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
4hzeRCSB PDB    PDBbindX7A
4q3sRCSB PDB    PDBbindX7A
5hj9RCSB PDB    PDBbindX7A
Entry Information
PDB ID4hww
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameArginase-1
Ligand NameX7A
EC.Number E.C.3.5.3.1
Resolution 1.3(Å)
Affinity (Kd/Ki/IC50)IC50=223nM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) J.Med.Chem. Vol. 56: pp. 2568-2580
Ligand Properties
Formula C13H32BN2O5
Molecular Weight 307.215
Exact Mass 307.240
No. of atoms 53
No. of bonds 53
Polar Surface Area 108.07
LOGP Value -1.53      (Computed with XLOGP3)
-0.99      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
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): P05089  
Entrez Gene IDNCBI Entrez Gene ID: 383  
ASDInformation of known allosteric effects of PDB entries
 
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