Browse entries in the PDBbind-CN Database

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Related entries of code: 2fdd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3r0wRCSB PDB    PDBbind99aa, >3R0W_1|Chains... at 90%
3r0yRCSB PDB    PDBbind99aa, >3R0Y_1|Chains... at 90%
4eyrRCSB PDB    PDBbind99aa, >4EYR_1|Chains... at 90%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2fdeRCSB PDB    PDBbind385
Entry Information
PDB ID2fdd
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehiv-1 protease
Ligand Name385
EC.Number E.C.3.4.23.16
Resolution 1.58(Å)
Affinity (Kd/Ki/IC50)IC50=4.8nM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference Bioorg.Med.Chem.Lett. v16 pp. 1788-94, 2006
Ligand Properties
Formula C33H41N3O10S2
Molecular Weight 703.823
Exact Mass 703.223
No. of atoms 89
No. of bonds 94
Polar Surface Area 191.6
LOGP Value 4.37      (Computed with XLOGP3)
5.34      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 17
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 6
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): Q7SPG9  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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