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Related entries of code: 4ll3
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%
3kfnRCSB PDB    PDBbind99aa, >3KFN_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... *
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
2f80RCSB PDB    PDBbind017
2f81RCSB PDB    PDBbind017
2f8gRCSB PDB    PDBbind017
2hs1RCSB PDB    PDBbind017
2hs2RCSB PDB    PDBbind017
2idwRCSB PDB    PDBbind017
2ienRCSB PDB    PDBbind017
2ieoRCSB PDB    PDBbind017
3bvbRCSB PDB    PDBbind017
3cywRCSB PDB    PDBbind017
3d1zRCSB PDB    PDBbind017
3d20RCSB PDB    PDBbind017
3ektRCSB PDB    PDBbind017
3gguRCSB PDB    PDBbind017
3lzsRCSB PDB    PDBbind017
3lzuRCSB PDB    PDBbind017
3lzvRCSB PDB    PDBbind017
3ogpRCSB PDB    PDBbind017
3pwmRCSB PDB    PDBbind017
3s53RCSB PDB    PDBbind017
3s54RCSB PDB    PDBbind017
3so9RCSB PDB    PDBbind017
3t3cRCSB PDB    PDBbind017
3tkwRCSB PDB    PDBbind017
3ttpRCSB PDB    PDBbind017
3u7sRCSB PDB    PDBbind017
4hlaRCSB PDB    PDBbind017
4q1wRCSB PDB    PDBbind017
4q1xRCSB PDB    PDBbind017
4q1yRCSB PDB    PDBbind017
5kqyRCSB PDB    PDBbind017
5kr1RCSB PDB    PDBbind017
6dgxRCSB PDB    PDBbind017
6dh0RCSB PDB    PDBbind017
6dh3RCSB PDB    PDBbind017
6dh6RCSB PDB    PDBbind017
6oouRCSB PDB    PDBbind017
6ootRCSB PDB    PDBbind017
6oosRCSB PDB    PDBbind017
Entry Information
PDB ID4ll3
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namewild-type HIV protease
Ligand Name017
EC.Number E.C.-.-.-.-
Resolution 1.95(Å)
Affinity (Kd/Ki/IC50)Kd=2.7pM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) Febs J. Vol. 281: pp. 1834-1847
Ligand Properties
Formula C27H37N3O7S
Molecular Weight 547.664
Exact Mass 547.235
No. of atoms 75
No. of bonds 78
Polar Surface Area 148.8
LOGP Value 2.94      (Computed with XLOGP3)
4.43      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 10
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): P03367  Q9WFL7  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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