Browse entries in the PDBbind-CN Database

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Related entries of code: 3tgs
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5f4lRCSB PDB    PDBbind350aa, >5F4L_1|Chains... at 99%
5f4pRCSB PDB    PDBbind350aa, >5F4P_1|Chains... at 99%
5f4rRCSB PDB    PDBbind350aa, >5F4R_1|Chains... at 99%
5f4uRCSB PDB    PDBbind350aa, >5F4U_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3tgs
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHIV-1 clade C1086 gp120 core
Ligand Name03G
EC.Number E.C.-.-.-.-
Resolution 2.7(Å)
Affinity (Kd/Ki/IC50)Kd=4.1uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) Proc.Natl.Acad.Sci.USA Vol. 109: pp. 5663-5668
Ligand Properties
Formula C17H25ClN3O2
Molecular Weight 338.852
Exact Mass 338.164
No. of atoms 48
No. of bonds 49
Polar Surface Area 74.81
LOGP Value 2.80      (Computed with XLOGP3)
3.71      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
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): C6G099  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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