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Related entries of code: 2nnk
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1a94RCSB PDB    PDBbind99aa, >1A94_1|Chains... at 90%
1aidRCSB PDB    PDBbind99aa, >1AID_1|Chains... at 91%
1b6jRCSB PDB    PDBbind99aa, >1B6J_1|Chains... at 93%
1b6kRCSB PDB    PDBbind99aa, >1B6K_1|Chains... at 95%
1b6lRCSB PDB    PDBbind99aa, >1B6L_1|Chains... at 95%
1b6mRCSB PDB    PDBbind99aa, >1B6M_1|Chains... at 95%
1b6pRCSB PDB    PDBbind99aa, >1B6P_1|Chains... at 95%
1cpiRCSB PDB    PDBbind99aa, >1CPI_1|Chains... at 93%
1d4kRCSB PDB    PDBbind99aa, >1D4K_1|Chains... at 95%
1d4lRCSB PDB    PDBbind99aa, >1D4L_1|Chains... at 95%
1kzkRCSB PDB    PDBbind99aa, >1KZK_1|Chains... at 92%
1mtrRCSB PDB    PDBbind99aa, >1MTR_1|Chains... at 95%
1sdtRCSB PDB    PDBbind99aa, >1SDT_1|Chains... at 91%
1sduRCSB PDB    PDBbind99aa, >1SDU_1|Chains... at 90%
1sdvRCSB PDB    PDBbind99aa, >1SDV_1|Chains... at 90%
1z1hRCSB PDB    PDBbind99aa, >1Z1H_1|Chains... at 95%
1z1rRCSB PDB    PDBbind99aa, >1Z1R_1|Chains... at 95%
2aocRCSB PDB    PDBbind99aa, >2AOC_1|Chains... at 90%
2aodRCSB PDB    PDBbind99aa, >2AOD_1|Chains... at 91%
2aoeRCSB PDB    PDBbind99aa, >2AOE_1|Chains... at 90%
2aogRCSB PDB    PDBbind99aa, >2AOG_1|Chains... at 90%
2aohRCSB PDB    PDBbind99aa, >2AOH_1|Chains... at 90%
2avmRCSB PDB    PDBbind99aa, >2AVM_1|Chains... at 90%
2avoRCSB PDB    PDBbind99aa, >2AVO_1|Chains... at 90%
2avqRCSB PDB    PDBbind99aa, >2AVQ_1|Chains... at 90%
2avsRCSB PDB    PDBbind99aa, >2AVS_1|Chains... at 90%
2avvRCSB PDB    PDBbind99aa, >2AVV_1|Chains... at 90%
2f3kRCSB PDB    PDBbind99aa, >2F3K_1|Chains... at 91%
2f80RCSB PDB    PDBbind99aa, >2F80_1|Chains... at 90%
2f81RCSB PDB    PDBbind99aa, >2F81_1|Chains... at 90%
2f8gRCSB PDB    PDBbind99aa, >2F8G_1|Chains... at 90%
2fguRCSB PDB    PDBbind99aa, >2FGU_1|Chains... at 91%
2fgvRCSB PDB    PDBbind99aa, >2FGV_1|Chains... at 91%
2hb3RCSB PDB    PDBbind99aa, >2HB3_1|Chains... at 91%
2hs1RCSB PDB    PDBbind99aa, >2HS1_1|Chains... at 90%
2hs2RCSB PDB    PDBbind99aa, >2HS2_1|Chains... at 92%
2i0aRCSB PDB    PDBbind99aa, >2I0A_1|Chains... at 91%
2i0dRCSB PDB    PDBbind99aa, >2I0D_1|Chains... at 91%
2idwRCSB PDB    PDBbind99aa, >2IDW_1|Chains... at 90%
2ienRCSB PDB    PDBbind99aa, >2IEN_1|Chains... at 91%
2ieoRCSB PDB    PDBbind99aa, >2IEO_1|Chains... at 90%
2nmyRCSB PDB    PDBbind99aa, >2NMY_1|Chains... at 90%
2nmzRCSB PDB    PDBbind99aa, >2NMZ_1|Chains... at 90%
2nnpRCSB PDB    PDBbind99aa, >2NNP_1|Chains... at 90%
2nxdRCSB PDB    PDBbind99aa, >2NXD_1|Chains... at 90%
2nxlRCSB PDB    PDBbind99aa, >2NXL_1|Chains... at 90%
2nxmRCSB PDB    PDBbind99aa, >2NXM_1|Chains... at 90%
2psuRCSB PDB    PDBbind99aa, >2PSU_1|Chains... at 91%
2psvRCSB PDB    PDBbind99aa, >2PSV_1|Chains... at 91%
2q54RCSB PDB    PDBbind99aa, >2Q54_1|Chains... at 91%
2q55RCSB PDB    PDBbind99aa, >2Q55_1|Chains... at 91%
2q5kRCSB PDB    PDBbind99aa, >2Q5K_1|Chains... at 91%
2qciRCSB PDB    PDBbind99aa, >2QCI_1|Chains... at 90%
2qd6RCSB PDB    PDBbind99aa, >2QD6_1|Chains... at 90%
2qd7RCSB PDB    PDBbind99aa, >2QD7_1|Chains... at 90%
2qd8RCSB PDB    PDBbind99aa, >2QD8_1|Chains... at 90%
2qhyRCSB PDB    PDBbind99aa, >2QHY_1|Chains... at 91%
2qhzRCSB PDB    PDBbind99aa, >2QHZ_1|Chains... at 91%
2qi0RCSB PDB    PDBbind99aa, >2QI0_1|Chains... at 91%
2qi1RCSB PDB    PDBbind99aa, >2QI1_1|Chains... at 91%
2qi3RCSB PDB    PDBbind99aa, >2QI3_1|Chains... at 91%
2qi4RCSB PDB    PDBbind99aa, >2QI4_1|Chains... at 91%
2qi5RCSB PDB    PDBbind99aa, >2QI5_1|Chains... at 91%
2qi6RCSB PDB    PDBbind99aa, >2QI6_1|Chains... at 91%
2qi7RCSB PDB    PDBbind99aa, >2QI7_1|Chains... at 91%
2z4oRCSB PDB    PDBbind99aa, >2Z4O_1|Chains... at 91%
3a2oRCSB PDB    PDBbind99aa, >3A2O_1|Chains... at 91%
3aidRCSB PDB    PDBbind99aa, >3AID_1|Chains... at 92%
3bvaRCSB PDB    PDBbind99aa, >3BVA_1|Chains... at 90%
3bvbRCSB PDB    PDBbind99aa, >3BVB_1|Chains... at 90%
3bxsRCSB PDB    PDBbind99aa, >3BXS_1|Chains... at 95%
3cywRCSB PDB    PDBbind99aa, >3CYW_1|Chains... at 90%
3cyxRCSB PDB    PDBbind99aa, >3CYX_1|Chains... at 90%
3d1xRCSB PDB    PDBbind99aa, >3D1X_1|Chains... at 90%
3d1yRCSB PDB    PDBbind99aa, >3D1Y_1|Chains... at 90%
3d1zRCSB PDB    PDBbind99aa, >3D1Z_1|Chains... at 90%
3d20RCSB PDB    PDBbind99aa, >3D20_1|Chains... at 90%
3dcrRCSB PDB    PDBbind99aa, >3DCR_1|Chains... at 98%
3djkRCSB PDB    PDBbind99aa, >3DJK_1|Chains... at 91%
3dk1RCSB PDB    PDBbind99aa, >3DK1_1|Chains... at 91%
3ekvRCSB PDB    PDBbind99aa, >3EKV_1|Chains... at 91%
3ekxRCSB PDB    PDBbind99aa, >3EKX_1|Chains... at 91%
3ekyRCSB PDB    PDBbind99aa, >3EKY_1|Chains... at 91%
3el1RCSB PDB    PDBbind99aa, >3EL1_1|Chains... at 92%
3el9RCSB PDB    PDBbind99aa, >3EL9_1|Chains... at 90%
3fsmRCSB PDB    PDBbind203aa, >3FSM_1|Chain... *
3gi4RCSB PDB    PDBbind99aa, >3GI4_1|Chains... at 91%
3gi5RCSB PDB    PDBbind99aa, >3GI5_1|Chains... at 91%
3gi6RCSB PDB    PDBbind99aa, >3GI6_1|Chains... at 91%
3h5bRCSB PDB    PDBbind99aa, >3H5B_1|Chains... at 91%
3hauRCSB PDB    PDBbind99aa, >3HAU_1|Chains... at 98%
3hawRCSB PDB    PDBbind99aa, >3HAW_1|Chains... at 100%
3hboRCSB PDB    PDBbind99aa, >3HBO_1|Chains... at 100%
3hdkRCSB PDB    PDBbind99aa, >3HDK_1|Chains... at 100%
3hloRCSB PDB    PDBbind203aa, >3HLO_1|Chain... at 99%
3i6oRCSB PDB    PDBbind99aa, >3I6O_1|Chains... at 91%
3i7eRCSB PDB    PDBbind99aa, >3I7E_1|Chains... at 92%
3iawRCSB PDB    PDBbind203aa, >3IAW_1|Chain... at 99%
3ka2RCSB PDB    PDBbind203aa, >3KA2_1|Chain... at 99%
3lzvRCSB PDB    PDBbind99aa, >3LZV_1|Chains... at 90%
3mxdRCSB PDB    PDBbind99aa, >3MXD_1|Chains... at 91%
3mxeRCSB PDB    PDBbind99aa, >3MXE_1|Chains... at 91%
3nu3RCSB PDB    PDBbind99aa, >3NU3_1|Chains... at 91%
3nu4RCSB PDB    PDBbind99aa, >3NU4_1|Chains... at 90%
3nu5RCSB PDB    PDBbind99aa, >3NU5_1|Chains... at 90%
3nu6RCSB PDB    PDBbind99aa, >3NU6_1|Chains... at 90%
3nu9RCSB PDB    PDBbind99aa, >3NU9_1|Chains... at 90%
3nujRCSB PDB    PDBbind99aa, >3NUJ_1|Chains... at 90%
3nuoRCSB PDB    PDBbind99aa, >3NUO_1|Chains... at 90%
3o99RCSB PDB    PDBbind99aa, >3O99_1|Chains... at 91%
3o9aRCSB PDB    PDBbind99aa, >3O9A_1|Chains... at 91%
3o9bRCSB PDB    PDBbind99aa, >3O9B_1|Chains... at 91%
3o9cRCSB PDB    PDBbind99aa, >3O9C_1|Chains... at 91%
3o9dRCSB PDB    PDBbind99aa, >3O9D_1|Chains... at 91%
3o9eRCSB PDB    PDBbind99aa, >3O9E_1|Chains... at 91%
3o9fRCSB PDB    PDBbind99aa, >3O9F_1|Chains... at 91%
3o9gRCSB PDB    PDBbind99aa, >3O9G_1|Chains... at 91%
3o9hRCSB PDB    PDBbind99aa, >3O9H_1|Chains... at 91%
3o9iRCSB PDB    PDBbind99aa, >3O9I_1|Chains... at 91%
3ok9RCSB PDB    PDBbind99aa, >3OK9_1|Chains... at 91%
3oxcRCSB PDB    PDBbind99aa, >3OXC_1|Chains... at 91%
3pwmRCSB PDB    PDBbind99aa, >3PWM_1|Chains... at 90%
3qaaRCSB PDB    PDBbind99aa, >3QAA_1|Chains... at 91%
3st5RCSB PDB    PDBbind99aa, >3ST5_1|Chains... at 91%
3vf5RCSB PDB    PDBbind99aa, >3VF5_1|Chains... at 90%
3vf7RCSB PDB    PDBbind99aa, >3VF7_1|Chains... at 90%
3vfaRCSB PDB    PDBbind99aa, >3VFA_1|Chains... at 90%
3vfbRCSB PDB    PDBbind99aa, >3VFB_1|Chains... at 90%
4dfgRCSB PDB    PDBbind99aa, >4DFG_1|Chains... at 91%
4djoRCSB PDB    PDBbind99aa, >4DJO_1|Chains... at 91%
4djpRCSB PDB    PDBbind99aa, >4DJP_1|Chains... at 91%
4djqRCSB PDB    PDBbind99aa, >4DJQ_1|Chains... at 91%
4djrRCSB PDB    PDBbind99aa, >4DJR_1|Chains... at 91%
4ej8RCSB PDB    PDBbind99aa, >4EJ8_1|Chains... at 92%
4ejlRCSB PDB    PDBbind99aa, >4EJL_1|Chains... at 92%
4ep2RCSB PDB    PDBbind203aa, >4EP2_1|Chain... at 90%
4hdbRCSB PDB    PDBbind99aa, >4HDB_1|Chains... at 90%
4hdfRCSB PDB    PDBbind99aa, >4HDF_1|Chains... at 90%
4hdpRCSB PDB    PDBbind99aa, >4HDP_1|Chains... at 90%
4he9RCSB PDB    PDBbind99aa, >4HE9_1|Chains... at 90%
4hegRCSB PDB    PDBbind99aa, >4HEG_1|Chains... at 90%
4kb9RCSB PDB    PDBbind99aa, >4KB9_1|Chains... at 91%
4q1wRCSB PDB    PDBbind99aa, >4Q1W_1|Chains... at 90%
4q1xRCSB PDB    PDBbind99aa, >4Q1X_1|Chains... at 90%
4q1yRCSB PDB    PDBbind99aa, >4Q1Y_1|Chains... at 90%
4u8wRCSB PDB    PDBbind99aa, >4U8W_1|Chains... at 91%
4zipRCSB PDB    PDBbind99aa, >4ZIP_1|Chains... at 91%
4zlsRCSB PDB    PDBbind99aa, >4ZLS_1|Chains... at 91%
5bryRCSB PDB    PDBbind99aa, >5BRY_1|Chains... at 91%
5bs4RCSB PDB    PDBbind99aa, >5BS4_1|Chains... at 91%
5dguRCSB PDB    PDBbind99aa, >5DGU_1|Chains... at 91%
5dgwRCSB PDB    PDBbind99aa, >5DGW_1|Chains... at 91%
5jfpRCSB PDB    PDBbind99aa, >5JFP_1|Chains... at 91%
5jfuRCSB PDB    PDBbind99aa, >5JFU_1|Chains... at 91%
5jg1RCSB PDB    PDBbind99aa, >5JG1_1|Chains... at 91%
5ultRCSB PDB    PDBbind99aa, >5ULT_1|Chains... at 91%
5uovRCSB PDB    PDBbind99aa, >5UOV_1|Chains... at 91%
5upzRCSB PDB    PDBbind99aa, >5UPZ_1|Chains... at 91%
5wloRCSB PDB    PDBbind99aa, >5WLO_1|Chains... at 91%
6b4nRCSB PDB    PDBbind99aa, >6B4N_1|Chains... at 91%
6c8xRCSB PDB    PDBbind99aa, >6C8X_1|Chains... at 91%
6cdjRCSB PDB    PDBbind99aa, >6CDJ_1|Chains... at 91%
6cdlRCSB PDB    PDBbind99aa, >6CDL_1|Chains... at 91%
6difRCSB PDB    PDBbind99aa, >6DIF_1|Chains... at 91%
6dilRCSB PDB    PDBbind99aa, >6DIL_1|Chains... at 90%
6dj1RCSB PDB    PDBbind99aa, >6DJ1_1|Chains... at 91%
6dj2RCSB PDB    PDBbind99aa, >6DJ2_1|Chains... at 90%
6dj5RCSB PDB    PDBbind99aa, >6DJ5_1|Chains... at 90%
6dj7RCSB PDB    PDBbind99aa, >6DJ7_1|Chains... at 90%
6e7jRCSB PDB    PDBbind99aa, >6E7J_1|Chains... at 91%
6e9aRCSB PDB    PDBbind99aa, >6E9A_1|Chains... at 91%
7hvpRCSB PDB    PDBbind99aa, >7HVP_1|Chains... at 93%
8hvpRCSB PDB    PDBbind99aa, >8HVP_1|Chains... at 93%
6o48RCSB PDB    PDBbind99aa, >6O48_1|Chains... at 91%
6ixdRCSB PDB    PDBbind99aa, >6IXD_1|Chains... at 91%
6u7oRCSB PDB    PDBbind99aa, >6U7O_1|Chains... at 91%
6u7pRCSB PDB    PDBbind99aa, >6U7P_1|Chains... at 91%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1hxbRCSB PDB    PDBbindROC
2nmyRCSB PDB    PDBbindROC
2nmzRCSB PDB    PDBbindROC
2nnpRCSB PDB    PDBbindROC
3cyxRCSB PDB    PDBbindROC
3d1xRCSB PDB    PDBbindROC
3d1yRCSB PDB    PDBbindROC
3ekqRCSB PDB    PDBbindROC
3el4RCSB PDB    PDBbindROC
3oxcRCSB PDB    PDBbindROC
3pwwRCSB PDB    PDBbindROC
3s56RCSB PDB    PDBbindROC
4qgiRCSB PDB    PDBbindROC
5kqxRCSB PDB    PDBbindROC
5kr2RCSB PDB    PDBbindROC
Entry Information
PDB ID2nnk
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHIV-1 protease
Ligand NameROC
EC.Number E.C.3.4.23.16
Resolution 1.25(Å)
Affinity (Kd/Ki/IC50)Ki=4.3nM
Release Year2007
Protein/NA SequenceCheck fasta file
Primary Reference Proteins: Structures, Functions & Bioformatics. 2007, 67, 232-242.
Ligand Properties
Formula C38H51N6O5
Molecular Weight 671.849
Exact Mass 671.392
No. of atoms 100
No. of bonds 104
Polar Surface Area 167.95
LOGP Value 4.24      (Computed with XLOGP3)
5.12      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 17
No. of Nitrogen and Oxygen Atoms: 11
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): P04587  Q7SSI0  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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