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Related entries of code: 2aoi
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2aofRCSB PDB    PDBbind11aa, >2AOF_2|Chain... *
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1avpRCSB PDB    PDBbind11-mer
1bbzRCSB PDB    PDBbind11-mer
1c5fRCSB PDB    PDBbind11-mer
1cwbRCSB PDB    PDBbind11-mer
1cwcRCSB PDB    PDBbind11-mer
1cynRCSB PDB    PDBbind11-mer
1d4tRCSB PDB    PDBbind11-mer
1d4wRCSB PDB    PDBbind11-mer
1d8eRCSB PDB    PDBbind11-mer
1ddmRCSB PDB    PDBbind11-mer
1ff1RCSB PDB    PDBbind11-mer
1h25RCSB PDB    PDBbind11-mer
1h26RCSB PDB    PDBbind11-mer
1h27RCSB PDB    PDBbind11-mer
1h28RCSB PDB    PDBbind11-mer
1h3hRCSB PDB    PDBbind11-mer
1h6eRCSB PDB    PDBbind11-mer
1iq1RCSB PDB    PDBbind11-mer
1irsRCSB PDB    PDBbind11-mer
1jm4RCSB PDB    PDBbind11-mer
1l2zRCSB PDB    PDBbind11-mer
1lcjRCSB PDB    PDBbind11-mer
1mikRCSB PDB    PDBbind11-mer
1om2RCSB PDB    PDBbind11-mer
1ox9RCSB PDB    PDBbind11-mer
1qngRCSB PDB    PDBbind11-mer
1qnhRCSB PDB    PDBbind11-mer
1s9vRCSB PDB    PDBbind11-mer
1spsRCSB PDB    PDBbind11-mer
1thsRCSB PDB    PDBbind11-mer
1uj0RCSB PDB    PDBbind11-mer
1ukhRCSB PDB    PDBbind11-mer
1xn2RCSB PDB    PDBbind11-mer
1zh7RCSB PDB    PDBbind11-mer
1zubRCSB PDB    PDBbind11-mer
2aofRCSB PDB    PDBbind11-mer
2bj4RCSB PDB    PDBbind11-mer
2bz8RCSB PDB    PDBbind11-mer
2ciaRCSB PDB    PDBbind11-mer
2cv3RCSB PDB    PDBbind11-mer
2eh8RCSB PDB    PDBbind11-mer
2ez5RCSB PDB    PDBbind11-mer
2h2gRCSB PDB    PDBbind11-mer
2h2hRCSB PDB    PDBbind11-mer
2h9mRCSB PDB    PDBbind11-mer
2h9nRCSB PDB    PDBbind11-mer
2h9pRCSB PDB    PDBbind11-mer
2hdxRCSB PDB    PDBbind11-mer
2hmhRCSB PDB    PDBbind11-mer
2jdlRCSB PDB    PDBbind11-mer
2jkrRCSB PDB    PDBbind11-mer
2jktRCSB PDB    PDBbind11-mer
2kplRCSB PDB    PDBbind11-mer
2ks9RCSB PDB    PDBbind11-mer
2ksaRCSB PDB    PDBbind11-mer
2ksbRCSB PDB    PDBbind11-mer
2l3rRCSB PDB    PDBbind11-mer
2m0oRCSB PDB    PDBbind11-mer
2m3mRCSB PDB    PDBbind11-mer
2m3oRCSB PDB    PDBbind11-mer
2o9kRCSB PDB    PDBbind11-mer
2or9RCSB PDB    PDBbind11-mer
2qhrRCSB PDB    PDBbind11-mer
2r02RCSB PDB    PDBbind11-mer
2r05RCSB PDB    PDBbind11-mer
2w9rRCSB PDB    PDBbind11-mer
2wfjRCSB PDB    PDBbind11-mer
2x2cRCSB PDB    PDBbind11-mer
2z6wRCSB PDB    PDBbind11-mer
3aslRCSB PDB    PDBbind11-mer
3ax5RCSB PDB    PDBbind11-mer
3dpoRCSB PDB    PDBbind11-mer
3e8uRCSB PDB    PDBbind11-mer
3eovRCSB PDB    PDBbind11-mer
3eyfRCSB PDB    PDBbind11-mer
3gxzRCSB PDB    PDBbind11-mer
3i90RCSB PDB    PDBbind11-mer
3iiwRCSB PDB    PDBbind11-mer
3iiyRCSB PDB    PDBbind11-mer
3ij0RCSB PDB    PDBbind11-mer
3ij1RCSB PDB    PDBbind11-mer
3lglRCSB PDB    PDBbind11-mer
3ll8RCSB PDB    PDBbind11-mer
3m53RCSB PDB    PDBbind11-mer
3m54RCSB PDB    PDBbind11-mer
3m55RCSB PDB    PDBbind11-mer
3m56RCSB PDB    PDBbind11-mer
3m57RCSB PDB    PDBbind11-mer
3m58RCSB PDB    PDBbind11-mer
3m59RCSB PDB    PDBbind11-mer
3m5aRCSB PDB    PDBbind11-mer
3me9RCSB PDB    PDBbind11-mer
3meaRCSB PDB    PDBbind11-mer
3metRCSB PDB    PDBbind11-mer
3oapRCSB PDB    PDBbind11-mer
3odiRCSB PDB    PDBbind11-mer
3odlRCSB PDB    PDBbind11-mer
3p4fRCSB PDB    PDBbind11-mer
3p9hRCSB PDB    PDBbind11-mer
3pqzRCSB PDB    PDBbind11-mer
3qzvRCSB PDB    PDBbind11-mer
3rbqRCSB PDB    PDBbind11-mer
3rl7RCSB PDB    PDBbind11-mer
3rl8RCSB PDB    PDBbind11-mer
3rwdRCSB PDB    PDBbind11-mer
3tg5RCSB PDB    PDBbind11-mer
3u0tRCSB PDB    PDBbind11-mer
3uvkRCSB PDB    PDBbind11-mer
3uvlRCSB PDB    PDBbind11-mer
3uvnRCSB PDB    PDBbind11-mer
3uvoRCSB PDB    PDBbind11-mer
3uvxRCSB PDB    PDBbind11-mer
3uw9RCSB PDB    PDBbind11-mer
3v2xRCSB PDB    PDBbind11-mer
3va4RCSB PDB    PDBbind11-mer
3zkeRCSB PDB    PDBbind11-mer
3zkfRCSB PDB    PDBbind11-mer
4aa2RCSB PDB    PDBbind11-mer
4b8oRCSB PDB    PDBbind11-mer
4bd3RCSB PDB    PDBbind11-mer
4ds1RCSB PDB    PDBbind11-mer
4e9cRCSB PDB    PDBbind11-mer
4fgyRCSB PDB    PDBbind11-mer
4g69RCSB PDB    PDBbind11-mer
4ht6RCSB PDB    PDBbind11-mer
4htpRCSB PDB    PDBbind11-mer
4hybRCSB PDB    PDBbind11-mer
4j7iRCSB PDB    PDBbind11-mer
4j8gRCSB PDB    PDBbind11-mer
4jjmRCSB PDB    PDBbind11-mer
4ln2RCSB PDB    PDBbind11-mer
4n7gRCSB PDB    PDBbind11-mer
4n7yRCSB PDB    PDBbind11-mer
4o3tRCSB PDB    PDBbind11-mer
4o62RCSB PDB    PDBbind11-mer
4pl6RCSB PDB    PDBbind11-mer
4pliRCSB PDB    PDBbind11-mer
4pr5RCSB PDB    PDBbind11-mer
4praRCSB PDB    PDBbind11-mer
4prbRCSB PDB    PDBbind11-mer
4prdRCSB PDB    PDBbind11-mer
4preRCSB PDB    PDBbind11-mer
4prhRCSB PDB    PDBbind11-mer
4priRCSB PDB    PDBbind11-mer
4prnRCSB PDB    PDBbind11-mer
4prpRCSB PDB    PDBbind11-mer
4pxfRCSB PDB    PDBbind11-mer
4qc1RCSB PDB    PDBbind11-mer
4qyoRCSB PDB    PDBbind11-mer
4tk1RCSB PDB    PDBbind11-mer
4tk2RCSB PDB    PDBbind11-mer
4tk3RCSB PDB    PDBbind11-mer
4tk4RCSB PDB    PDBbind11-mer
4tmpRCSB PDB    PDBbind11-mer
4u68RCSB PDB    PDBbind11-mer
4u91RCSB PDB    PDBbind11-mer
4w5aRCSB PDB    PDBbind11-mer
4wphRCSB PDB    PDBbind11-mer
4x6sRCSB PDB    PDBbind11-mer
4xc2RCSB PDB    PDBbind11-mer
4yjeRCSB PDB    PDBbind11-mer
4yk6RCSB PDB    PDBbind11-mer
4yv9RCSB PDB    PDBbind11-mer
4yy6RCSB PDB    PDBbind11-mer
4yyiRCSB PDB    PDBbind11-mer
4yymRCSB PDB    PDBbind11-mer
4yynRCSB PDB    PDBbind11-mer
5a0eRCSB PDB    PDBbind11-mer
5aguRCSB PDB    PDBbind11-mer
5agvRCSB PDB    PDBbind11-mer
5ah2RCSB PDB    PDBbind11-mer
5awtRCSB PDB    PDBbind11-mer
5awuRCSB PDB    PDBbind11-mer
5b6cRCSB PDB    PDBbind11-mer
5c6vRCSB PDB    PDBbind11-mer
5c7eRCSB PDB    PDBbind11-mer
5c7fRCSB PDB    PDBbind11-mer
5cszRCSB PDB    PDBbind11-mer
5dahRCSB PDB    PDBbind11-mer
5ewzRCSB PDB    PDBbind11-mer
5ez0RCSB PDB    PDBbind11-mer
5hpmRCSB PDB    PDBbind11-mer
5ickRCSB PDB    PDBbind11-mer
5id0RCSB PDB    PDBbind11-mer
5igqRCSB PDB    PDBbind11-mer
5jinRCSB PDB    PDBbind11-mer
5jiyRCSB PDB    PDBbind11-mer
5jm4RCSB PDB    PDBbind11-mer
5kezRCSB PDB    PDBbind11-mer
5l3fRCSB PDB    PDBbind11-mer
5l3gRCSB PDB    PDBbind11-mer
5lgqRCSB PDB    PDBbind11-mer
5mlwRCSB PDB    PDBbind11-mer
5nneRCSB PDB    PDBbind11-mer
5svxRCSB PDB    PDBbind11-mer
5svyRCSB PDB    PDBbind11-mer
5tdrRCSB PDB    PDBbind11-mer
5tdwRCSB PDB    PDBbind11-mer
5tq1RCSB PDB    PDBbind11-mer
5tqsRCSB PDB    PDBbind11-mer
5vlkRCSB PDB    PDBbind11-mer
5xhzRCSB PDB    PDBbind11-mer
5ygdRCSB PDB    PDBbind11-mer
6au5RCSB PDB    PDBbind11-mer
6axjRCSB PDB    PDBbind11-mer
6axpRCSB PDB    PDBbind11-mer
6aynRCSB PDB    PDBbind11-mer
6azkRCSB PDB    PDBbind11-mer
6azlRCSB PDB    PDBbind11-mer
6ct7RCSB PDB    PDBbind11-mer
6g0qRCSB PDB    PDBbind11-mer
6qzrRCSB PDB    PDBbind11-mer
6qtwRCSB PDB    PDBbind11-mer
6qs1RCSB PDB    PDBbind11-mer
6om2RCSB PDB    PDBbind11-mer
6i5nRCSB PDB    PDBbind11-mer
6i5jRCSB PDB    PDBbind11-mer
6i4xRCSB PDB    PDBbind11-mer
6hksRCSB PDB    PDBbind11-mer
6gy5RCSB PDB    PDBbind11-mer
6g8qRCSB PDB    PDBbind11-mer
6g8pRCSB PDB    PDBbind11-mer
6g8lRCSB PDB    PDBbind11-mer
6g8kRCSB PDB    PDBbind11-mer
6g8jRCSB PDB    PDBbind11-mer
6g8iRCSB PDB    PDBbind11-mer
6g6xRCSB PDB    PDBbind11-mer
Entry Information
PDB ID2aoi
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namewild-type PR(HIV-1 protease)
Ligand Name11-mer
EC.Number E.C.3.4.23.16
Resolution 1.4(Å)
Affinity (Kd/Ki/IC50)Kd=96.7uM
Release Year2006
Protein/NA SequenceCheck fasta file
Primary Reference (2005) Febs J. Vol. 272: pp. 5265-5277
Ligand Properties
Formula C51H89N19O12
Molecular Weight 1160.370
Exact Mass 1159.690
No. of atoms 171
No. of bonds 173
Polar Surface Area 540.99
LOGP Value -2.19      (Computed with XLOGP3)
-5.65      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 45
No. of Nitrogen and Oxygen Atoms: 31
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): P04587  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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