Browse entries in the PDBbind-CN Database

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Related entries of code: 6gxq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5g2bRCSB PDB    PDBbind360aa, >5G2B_1|Chains... *
5g57RCSB PDB    PDBbind360aa, >5G57_1|Chains... at 100%
5g5vRCSB PDB    PDBbind360aa, >5G5V_1|Chains... at 100%
5l8cRCSB PDB    PDBbind360aa, >5L8C_1|Chains... at 100%
5l8yRCSB PDB    PDBbind360aa, >5L8Y_1|Chains... at 100%
5l9hRCSB PDB    PDBbind360aa, >5L9H_1|Chains... at 100%
6rfwRCSB PDB    PDBbind360aa, >6RFW_1|Chains... at 100%
6rfnRCSB PDB    PDBbind360aa, >6RFN_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID6gxq
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePDE-B1
Ligand NameFFZ
EC.Number E.C.-.-.-.-
Resolution 1.96(Å)
Affinity (Kd/Ki/IC50)Kd=79.4nM
Release Year2019
Protein/NA SequenceCheck fasta file
Primary Reference (2019) Bioorg.Med.Chem. Vol. 27: pp. 4013-4029
Ligand Properties
Formula C28H29N3O3
Molecular Weight 455.548
Exact Mass 455.221
No. of atoms 63
No. of bonds 66
Polar Surface Area 71
LOGP Value 4.47      (Computed with XLOGP3)
3.66      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 4
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): Q8WQX9  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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