Browse entries in the PDBbind-CN Database

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Related entries of code: 4qrh
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
6gfmRCSB PDB    PDBbind0O2

Entry Information
PDB ID4qrh
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameGuanylate kinase
Ligand Name0O2
EC.Number E.C.2.7.4.8
Resolution 1.65(Å)
Affinity (Kd/Ki/IC50)Ki=7.0uM
Release Year2015
Protein/NA SequenceCheck fasta file
Primary Reference (2015) Mol.Cell Vol. 57: pp. 735-749
Ligand Properties
Formula C10H24N5O20P5
Molecular Weight 689.188
Exact Mass 688.970
No. of atoms 64
No. of bonds 66
Polar Surface Area 477.16
LOGP Value -8.05      (Computed with XLOGP3)
-4.29      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 25
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): A0A0J9X1Z9  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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