Browse entries in the PDBbind-CN Database

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Related entries of code: 2r5p
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2r5qRCSB PDB    PDBbind99aa, >2R5Q_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1c6yRCSB PDB    PDBbindMK1
1hsgRCSB PDB    PDBbindMK1
1hshRCSB PDB    PDBbindMK1
1k6cRCSB PDB    PDBbindMK1
1sdtRCSB PDB    PDBbindMK1
1sduRCSB PDB    PDBbindMK1
1sdvRCSB PDB    PDBbindMK1
1sguRCSB PDB    PDBbindMK1
2avoRCSB PDB    PDBbindMK1
2avsRCSB PDB    PDBbindMK1
2avvRCSB PDB    PDBbindMK1
2bpxRCSB PDB    PDBbindMK1
Entry Information
PDB ID2r5p
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namesubtype C HIV PR
Ligand NameMK1
EC.Number E.C.-.-.-.-
Resolution 2.3(Å)
Affinity (Kd/Ki/IC50)Ki=3.3nM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Biochemistry Vol. 47: pp. 731-743
Ligand Properties
Formula C36H49N5O4
Molecular Weight 615.805
Exact Mass 615.378
No. of atoms 94
No. of bonds 98
Polar Surface Area 120.43
LOGP Value 2.79      (Computed with XLOGP3)
3.95      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 9
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): O12158  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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