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Related entries of code: 3rl3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3rl4RCSB PDB    PDBbind296aa, >3RL4_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1g9tRCSB PDB    PDBbind5GP
1qk3RCSB PDB    PDBbind5GP
2fxvRCSB PDB    PDBbind5GP
3kyfRCSB PDB    PDBbind5GP
3kygRCSB PDB    PDBbind5GP
3rl4RCSB PDB    PDBbind5GP
4g0zRCSB PDB    PDBbind5GP
5k1dRCSB PDB    PDBbind5GP
5km1RCSB PDB    PDBbind5GP
5y61RCSB PDB    PDBbind5GP
5y62RCSB PDB    PDBbind5GP
6mxcRCSB PDB    PDBbind5GP
6hgsRCSB PDB    PDBbind5GP
Entry Information
PDB ID3rl3
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameMetallophosphoesterase MPPED2
Ligand Name5GP
EC.Number E.C.3.1.-.-
Resolution 1.42(Å)
Affinity (Kd/Ki/IC50)IC50=67nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Mol.Biol. Vol. 412: pp. 481-494
Ligand Properties
Formula C10H16N5O8P
Molecular Weight 365.237
Exact Mass 365.074
No. of atoms 40
No. of bonds 42
Polar Surface Area 224.04
LOGP Value -3.26      (Computed with XLOGP3)
-3.01      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 13
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): B1WBP0  
Entrez Gene IDNCBI Entrez Gene ID: 362185  
ASDInformation of known allosteric effects of PDB entries
 
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