Browse entries in the PDBbind-CN Database

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Related entries of code: 5kr2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
5kr1RCSB PDB    PDBbind99aa, >5KR1_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1hxbRCSB PDB    PDBbindROC
2nmyRCSB PDB    PDBbindROC
2nmzRCSB PDB    PDBbindROC
2nnkRCSB PDB    PDBbindROC
2nnpRCSB PDB    PDBbindROC
3cyxRCSB PDB    PDBbindROC
3d1xRCSB PDB    PDBbindROC
3d1yRCSB PDB    PDBbindROC
3ekqRCSB PDB    PDBbindROC
3el4RCSB PDB    PDBbindROC
3oxcRCSB PDB    PDBbindROC
3pwwRCSB PDB    PDBbindROC
3s56RCSB PDB    PDBbindROC
4qgiRCSB PDB    PDBbindROC
5kqxRCSB PDB    PDBbindROC
Entry Information
PDB ID5kr2
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHIV Protease PR5
Ligand NameROC
EC.Number E.C.-.-.-.-
Resolution 1.78(Å)
Affinity (Kd/Ki/IC50)Ki=3.3nM
Release Year2016
Protein/NA SequenceCheck fasta file
Primary Reference (2016) J.Biol.Chem. Vol. 291: pp. 22741-22756
Ligand Properties
Formula C38H51N6O5
Molecular Weight 671.849
Exact Mass 671.392
No. of atoms 100
No. of bonds 104
Polar Surface Area 167.95
LOGP Value 4.24      (Computed with XLOGP3)
5.12      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 17
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 5
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): V5YAB1  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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