Browse entries in the PDBbind-CN Database

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Related entries of code: 2r5q
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2r5pRCSB PDB    PDBbind99aa, >2R5P_1|Chains... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1ohrRCSB PDB    PDBbind1UN
2pymRCSB PDB    PDBbind1UN
2pynRCSB PDB    PDBbind1UN
2q63RCSB PDB    PDBbind1UN
2q64RCSB PDB    PDBbind1UN
3ekxRCSB PDB    PDBbind1UN
3el0RCSB PDB    PDBbind1UN
3el5RCSB PDB    PDBbind1UN
Entry Information
PDB ID2r5q
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namesubtype C HIV PR
Ligand Name1UN
EC.Number E.C.-.-.-.-
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Ki=2.7nM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Biochemistry Vol. 47: pp. 731-743
Ligand Properties
Formula C32H46N3O4S
Molecular Weight 568.790
Exact Mass 568.321
No. of atoms 86
No. of bonds 89
Polar Surface Area 128.4
LOGP Value 5.67      (Computed with XLOGP3)
5.68      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
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): O12158  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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