Browse entries in the PDBbind-CN Database

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Related entries of code: 4m8x
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2rkfRCSB PDB    PDBbind99aa, >2RKF_1|Chains... at 100%
2rkgRCSB PDB    PDBbind100aa, >2RKG_1|Chains... *
4m8yRCSB PDB    PDBbind100aa, >4M8Y_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
2i4wRCSB PDB    PDBbindKGQ
2i4xRCSB PDB    PDBbindKGQ
4m8yRCSB PDB    PDBbindKGQ

Entry Information
PDB ID4m8x
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameHIV-1 Protease, PR2 (VPR2)
Ligand NameKGQ
EC.Number E.C.3.4.23.16
Resolution 2.05(Å)
Affinity (Kd/Ki/IC50)Ki=0.063nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Virol. Vol. 88: pp. 3586-3590
Ligand Properties
Formula C33H49N2O12PS
Molecular Weight 728.787
Exact Mass 728.274
No. of atoms 98
No. of bonds 101
Polar Surface Area 186.58
LOGP Value 3.64      (Computed with XLOGP3)
5.88      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 22
No. of Nitrogen and Oxygen Atoms: 14
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): Q90JJ9  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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