Browse entries in the PDBbind-CN Database

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Related entries of code: 3umq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ng4RCSB PDB    PDBbind171aa, >3NG4_1|Chains... *
3nw3RCSB PDB    PDBbind171aa, >3NW3_1|Chains... at 100%
3o4kRCSB PDB    PDBbind171aa, >3O4K_1|Chains... at 100%
3ogxRCSB PDB    PDBbind171aa, >3OGX_1|Chains... at 100%
3rt4RCSB PDB    PDBbind171aa, >3RT4_1|Chains... at 100%
3t2vRCSB PDB    PDBbind171aa, >3T2V_1|Chains... at 100%
3uilRCSB PDB    PDBbind171aa, >3UIL_1|Chains... at 100%
3usxRCSB PDB    PDBbind171aa, >3USX_1|Chains... at 100%
4fnnRCSB PDB    PDBbind171aa, >4FNN_1|Chains... at 100%
5e0aRCSB PDB    PDBbind171aa, >5E0A_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1ugpRCSB PDB    PDBbindBUA

Entry Information
PDB ID3umq
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePeptidoglycan recognition protein 1
Ligand NameBUA
EC.Number E.C.-.-.-.-
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Kd=24.1uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2013) Arch.Biochem.Biophys. Vol. 529: pp. 1-10
Ligand Properties
Formula C4H8O2
Molecular Weight 88.105
Exact Mass 88.052
No. of atoms 14
No. of bonds 13
Polar Surface Area 37.3
LOGP Value 2.06      (Computed with XLOGP3)
0.87      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
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): Q9GK12  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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