Browse entries in the PDBbind-CN Database

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Related entries of code: 5gub
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5gx6RCSB PDB    PDBbind483aa, >5GX6_1|Chains... at 99%
5gx7RCSB PDB    PDBbind483aa, >5GX7_1|Chains... at 99%
5xs8RCSB PDB    PDBbind505aa, >5XS8_1|Chains... *
6inzRCSB PDB    PDBbind505aa, >6INZ_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
11gsRCSB PDB    PDBbind2-mer
1b2mRCSB PDB    PDBbind2-mer
1e55RCSB PDB    PDBbind2-mer
1eefRCSB PDB    PDBbind2-mer
1fh7RCSB PDB    PDBbind2-mer
1fh8RCSB PDB    PDBbind2-mer
1fh9RCSB PDB    PDBbind2-mer
1fhdRCSB PDB    PDBbind2-mer
1ocnRCSB PDB    PDBbind2-mer
1orwRCSB PDB    PDBbind2-mer
1y3nRCSB PDB    PDBbind2-mer
2igvRCSB PDB    PDBbind2-mer
2igwRCSB PDB    PDBbind2-mer
2r1xRCSB PDB    PDBbind2-mer
2r1yRCSB PDB    PDBbind2-mer
2r23RCSB PDB    PDBbind2-mer
2rkmRCSB PDB    PDBbind2-mer
2rokRCSB PDB    PDBbind2-mer
2tpiRCSB PDB    PDBbind2-mer
2vl1RCSB PDB    PDBbind2-mer
2wlyRCSB PDB    PDBbind2-mer
2wlzRCSB PDB    PDBbind2-mer
2wynRCSB PDB    PDBbind2-mer
3bbbRCSB PDB    PDBbind2-mer
3bpcRCSB PDB    PDBbind2-mer
3gssRCSB PDB    PDBbind2-mer
3ijyRCSB PDB    PDBbind2-mer
3ikcRCSB PDB    PDBbind2-mer
3ng4RCSB PDB    PDBbind2-mer
3oy8RCSB PDB    PDBbind2-mer
3qlbRCSB PDB    PDBbind2-mer
3rg2RCSB PDB    PDBbind2-mer
3vzgRCSB PDB    PDBbind2-mer
4cd4RCSB PDB    PDBbind2-mer
4cd5RCSB PDB    PDBbind2-mer
4cd6RCSB PDB    PDBbind2-mer
4cd8RCSB PDB    PDBbind2-mer
4gzxRCSB PDB    PDBbind2-mer
4jjfRCSB PDB    PDBbind2-mer
4jjgRCSB PDB    PDBbind2-mer
4k3lRCSB PDB    PDBbind2-mer
4lk7RCSB PDB    PDBbind2-mer
4lkkRCSB PDB    PDBbind2-mer
4nkuRCSB PDB    PDBbind2-mer
4oakRCSB PDB    PDBbind2-mer
4oelRCSB PDB    PDBbind2-mer
4oemRCSB PDB    PDBbind2-mer
4qflRCSB PDB    PDBbind2-mer
4qfnRCSB PDB    PDBbind2-mer
4qfoRCSB PDB    PDBbind2-mer
4qfpRCSB PDB    PDBbind2-mer
4v27RCSB PDB    PDBbind2-mer
4x6hRCSB PDB    PDBbind2-mer
4yw2RCSB PDB    PDBbind2-mer
5ggoRCSB PDB    PDBbind2-mer
5gx6RCSB PDB    PDBbind2-mer
5gx7RCSB PDB    PDBbind2-mer
5j41RCSB PDB    PDBbind2-mer
5l7fRCSB PDB    PDBbind2-mer
5lneRCSB PDB    PDBbind2-mer
5lyrRCSB PDB    PDBbind2-mer
5m17RCSB PDB    PDBbind2-mer
5m1zRCSB PDB    PDBbind2-mer
5m5dRCSB PDB    PDBbind2-mer
5m77RCSB PDB    PDBbind2-mer
5o58RCSB PDB    PDBbind2-mer
5oxkRCSB PDB    PDBbind2-mer
5oxlRCSB PDB    PDBbind2-mer
5oxmRCSB PDB    PDBbind2-mer
5oxnRCSB PDB    PDBbind2-mer
5vkmRCSB PDB    PDBbind2-mer
5xs8RCSB PDB    PDBbind2-mer
6famRCSB PDB    PDBbind2-mer
6hmgRCSB PDB    PDBbind2-mer
6p7qRCSB PDB    PDBbind2-mer
6kdiRCSB PDB    PDBbind2-mer
6idgRCSB PDB    PDBbind2-mer
6a87RCSB PDB    PDBbind2-mer
6inzRCSB PDB    PDBbind2-mer
Entry Information
PDB ID5gub
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namesolute-binding protein Smon0123
Ligand Name2-mer
EC.Number E.C.-.-.-.-
Resolution 1.78(Å)
Affinity (Kd/Ki/IC50)IC50=0.635uM
Release Year2017
Protein/NA SequenceCheck fasta file
Primary Reference (2017) Sci Rep Vol. 7: pp. 1069-1069
Ligand Properties
Formula C14H21NO11
Molecular Weight 379.317
Exact Mass 379.111
No. of atoms 47
No. of bonds 48
Polar Surface Area 195.24
LOGP Value -2.43      (Computed with XLOGP3)
-3.62      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 2
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): D1AWE0  
Entrez Gene IDNCBI Entrez Gene ID: 29674010  
ASDInformation of known allosteric effects of PDB entries
 
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