Browse entries in the PDBbind-CN Database

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Related entries of code: 1tcw
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1sivRCSB PDB    PDBbind99aa, >1SIV_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1bdlRCSB PDB    PDBbindIM1
1bdqRCSB PDB    PDBbindIM1
1bdrRCSB PDB    PDBbindIM1
1sbgRCSB PDB    PDBbindIM1
1tcxRCSB PDB    PDBbindIM1

Entry Information
PDB ID1tcw
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameSIV protease
Ligand NameIM1
EC.Number E.C.3.4.23.16
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)Ki=960nM
Release Year1996
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v35 pp. 10279-86, 1996
Ligand Properties
Formula C31H42N4O4
Molecular Weight 534.690
Exact Mass 534.321
No. of atoms 81
No. of bonds 83
Polar Surface Area 116.34
LOGP Value 4.96      (Computed with XLOGP3)
5.75      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 17
No. of Nitrogen and Oxygen Atoms: 8
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): P05896  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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