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Related entries of code: 3kfn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ebyRCSB PDB    PDBbind99aa, >1EBY_1|Chains... at 90%
1hxwRCSB PDB    PDBbind99aa, >1HXW_1|Chains... at 90%
1izhRCSB PDB    PDBbind99aa, >1IZH_1|Chains... at 90%
1k6cRCSB PDB    PDBbind99aa, >1K6C_1|Chains... at 91%
1k6pRCSB PDB    PDBbind99aa, >1K6P_1|Chains... at 91%
1k6tRCSB PDB    PDBbind99aa, >1K6T_1|Chains... at 91%
1k6vRCSB PDB    PDBbind99aa, >1K6V_1|Chains... at 91%
1proRCSB PDB    PDBbind99aa, >1PRO_1|Chains... at 90%
1sbgRCSB PDB    PDBbind99aa, >1SBG_1|Chains... at 90%
1t7jRCSB PDB    PDBbind99aa, >1T7J_1|Chains... at 91%
1vijRCSB PDB    PDBbind99aa, >1VIJ_1|Chains... at 90%
1vikRCSB PDB    PDBbind99aa, >1VIK_1|Chains... at 90%
1zp8RCSB PDB    PDBbind99aa, >1ZP8_1|Chain... at 90%
1zpaRCSB PDB    PDBbind99aa, >1ZPA_1|Chain... at 90%
2az8RCSB PDB    PDBbind99aa, >2AZ8_1|Chain... at 91%
2az9RCSB PDB    PDBbind99aa, >2AZ9_1|Chain... at 90%
2i4dRCSB PDB    PDBbind99aa, >2I4D_1|Chains... at 90%
2i4uRCSB PDB    PDBbind99aa, >2I4U_1|Chains... at 90%
2i4wRCSB PDB    PDBbind99aa, >2I4W_1|Chains... at 90%
2o4kRCSB PDB    PDBbind99aa, >2O4K_1|Chains... at 90%
2o4pRCSB PDB    PDBbind99aa, >2O4P_1|Chains... at 90%
2o4sRCSB PDB    PDBbind99aa, >2O4S_1|Chains... at 90%
2p3bRCSB PDB    PDBbind99aa, >2P3B_2|Chain... at 90%
3ekpRCSB PDB    PDBbind99aa, >3EKP_1|Chains... at 90%
3ekqRCSB PDB    PDBbind99aa, >3EKQ_1|Chains... at 90%
3ektRCSB PDB    PDBbind99aa, >3EKT_1|Chains... at 90%
3ekwRCSB PDB    PDBbind99aa, >3EKW_1|Chains... at 90%
3el0RCSB PDB    PDBbind99aa, >3EL0_1|Chains... at 90%
3el4RCSB PDB    PDBbind99aa, >3EL4_1|Chains... at 92%
3el5RCSB PDB    PDBbind99aa, >3EL5_1|Chains... at 91%
3m9fRCSB PDB    PDBbind99aa, >3M9F_1|Chains... at 90%
3tlhRCSB PDB    PDBbind99aa, >3TLH_1|Chain... at 90%
4eqjRCSB PDB    PDBbind203aa, >4EQJ_1|Chain... *
4ll3RCSB PDB    PDBbind99aa, >4LL3_1|Chains... at 90%
4phvRCSB PDB    PDBbind99aa, >4PHV_1|Chains... at 90%
5hvpRCSB PDB    PDBbind99aa, >5HVP_1|Chains... at 90%
5ivsRCSB PDB    PDBbind99aa, >5IVS_1|Chains... at 90%
6dgxRCSB PDB    PDBbind99aa, >6DGX_1|Chains... at 91%
6dgyRCSB PDB    PDBbind99aa, >6DGY_1|Chains... at 91%
6dgzRCSB PDB    PDBbind99aa, >6DGZ_1|Chains... at 91%
6dh0RCSB PDB    PDBbind99aa, >6DH0_1|Chains... at 90%
6dh1RCSB PDB    PDBbind99aa, >6DH1_1|Chains... at 90%
6dh2RCSB PDB    PDBbind99aa, >6DH2_1|Chains... at 90%
6dh3RCSB PDB    PDBbind99aa, >6DH3_1|Chains... at 90%
6dh4RCSB PDB    PDBbind99aa, >6DH4_1|Chains... at 90%
6dh5RCSB PDB    PDBbind99aa, >6DH5_1|Chains... at 90%
6dh6RCSB PDB    PDBbind99aa, >6DH6_1|Chains... at 90%
6dh7RCSB PDB    PDBbind99aa, >6DH7_1|Chains... at 90%
6dh8RCSB PDB    PDBbind99aa, >6DH8_1|Chains... at 90%
9hvpRCSB PDB    PDBbind99aa, >9HVP_1|Chains... at 90%
6oy2RCSB PDB    PDBbind99aa, >6OY2_1|Chains... at 91%
6oy0RCSB PDB    PDBbind99aa, >6OY0_1|Chains... at 91%
6oxzRCSB PDB    PDBbind99aa, >6OXZ_1|Chains... at 91%
6oxyRCSB PDB    PDBbind99aa, >6OXY_1|Chains... at 91%
6oxxRCSB PDB    PDBbind99aa, >6OXX_1|Chains... at 91%
6oxwRCSB PDB    PDBbind99aa, >6OXW_1|Chains... at 91%
6oxvRCSB PDB    PDBbind99aa, >6OXV_1|Chains... at 91%
6oxuRCSB PDB    PDBbind99aa, >6OXU_1|Chains... at 91%
6oxtRCSB PDB    PDBbind99aa, >6OXT_1|Chains... at 91%
6oxsRCSB PDB    PDBbind99aa, >6OXS_1|Chains... at 91%
6oxrRCSB PDB    PDBbind99aa, >6OXR_1|Chains... at 91%
6oxqRCSB PDB    PDBbind99aa, >6OXQ_1|Chains... at 91%
6oxpRCSB PDB    PDBbind99aa, >6OXP_1|Chains... at 91%
6oouRCSB PDB    PDBbind99aa, >6OOU_1|Chains... at 90%
6oosRCSB PDB    PDBbind99aa, >6OOS_1|Chains... at 90%
6oy1RCSB PDB    PDBbind99aa, >6OY1_1|Chains... at 91%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1b11RCSB PDB    PDBbind3TL
2az8RCSB PDB    PDBbind3TL
2az9RCSB PDB    PDBbind3TL
2azbRCSB PDB    PDBbind3TL
2azcRCSB PDB    PDBbind3TL
2hahRCSB PDB    PDBbind3TL
2p3aRCSB PDB    PDBbind3TL
2p3bRCSB PDB    PDBbind3TL
2p3cRCSB PDB    PDBbind3TL
2p3dRCSB PDB    PDBbind3TL
3slzRCSB PDB    PDBbind3TL
3tlhRCSB PDB    PDBbind3TL
5fivRCSB PDB    PDBbind3TL
6fivRCSB PDB    PDBbind3TL
Entry Information
PDB ID3kfn
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHIV Protease (PR)
Ligand Name3TL
EC.Number E.C.3.4.23.16
Resolution 1.77(Å)
Affinity (Kd/Ki/IC50)IC50=18uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Chem.Biol.Drug Des. Vol. 75: pp. 257-268
Ligand Properties
Formula C50H58N6O10
Molecular Weight 903.030
Exact Mass 902.421
No. of atoms 124
No. of bonds 127
Polar Surface Area 231.02
LOGP Value 7.10      (Computed with XLOGP3)
6.81      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 30
No. of Nitrogen and Oxygen Atoms: 16
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): P12499  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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