Browse entries in the PDBbind-CN Database

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Related entries of code: 1ec3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1a30RCSB PDB    PDBbind99aa, >1A30_1|Chains... at 96%
1a9mRCSB PDB    PDBbind99aa, >1A9M_1|Chains... at 98%
1aaqRCSB PDB    PDBbind99aa, >1AAQ_1|Chains... at 98%
1ajvRCSB PDB    PDBbind99aa, >1AJV_1|Chains... at 100%
1ajxRCSB PDB    PDBbind99aa, >1AJX_1|Chains... at 100%
1bdlRCSB PDB    PDBbind99aa, >1BDL_1|Chains... at 92%
1bdqRCSB PDB    PDBbind99aa, >1BDQ_1|Chains... at 90%
1bdrRCSB PDB    PDBbind99aa, >1BDR_1|Chains... at 93%
1bv7RCSB PDB    PDBbind99aa, >1BV7_1|Chains... at 97%
1bv9RCSB PDB    PDBbind99aa, >1BV9_1|Chains... at 97%
1bwaRCSB PDB    PDBbind99aa, >1BWA_1|Chains... at 96%
1bwbRCSB PDB    PDBbind99aa, >1BWB_1|Chains... at 96%
1c70RCSB PDB    PDBbind99aa, >1C70_1|Chains... at 100%
1d4hRCSB PDB    PDBbind99aa, >1D4H_1|Chains... at 100%
1d4iRCSB PDB    PDBbind99aa, >1D4I_1|Chains... at 100%
1d4jRCSB PDB    PDBbind99aa, >1D4J_1|Chains... at 100%
1d4yRCSB PDB    PDBbind99aa, >1D4Y_1|Chains... at 96%
1difRCSB PDB    PDBbind99aa, >1DIF_1|Chains... at 100%
1dmpRCSB PDB    PDBbind99aa, >1DMP_1|Chains... at 97%
1ebwRCSB PDB    PDBbind99aa, >1EBW_1|Chains... at 100%
1ebzRCSB PDB    PDBbind99aa, >1EBZ_1|Chains... at 100%
1ec0RCSB PDB    PDBbind99aa, >1EC0_1|Chains... at 100%
1ec1RCSB PDB    PDBbind99aa, >1EC1_1|Chains... at 100%
1ec2RCSB PDB    PDBbind99aa, >1EC2_1|Chains... at 100%
1g2kRCSB PDB    PDBbind99aa, >1G2K_1|Chains... at 100%
1g35RCSB PDB    PDBbind99aa, >1G35_1|Chains... at 100%
1gnmRCSB PDB    PDBbind99aa, >1GNM_1|Chains... at 98%
1gnnRCSB PDB    PDBbind99aa, >1GNN_1|Chains... at 98%
1gnoRCSB PDB    PDBbind99aa, >1GNO_1|Chains... at 100%
1hbvRCSB PDB    PDBbind99aa, >1HBV_1|Chains... at 100%
1hefRCSB PDB    PDBbind99aa, >1HEF_1|Chain... at 98%
1hegRCSB PDB    PDBbind99aa, >1HEG_1|Chain... at 98%
1hihRCSB PDB    PDBbind99aa, >1HIH_1|Chains... at 100%
1hivRCSB PDB    PDBbind99aa, >1HIV_1|Chains... at 98%
1hosRCSB PDB    PDBbind99aa, >1HOS_1|Chains... at 100%
1hpoRCSB PDB    PDBbind99aa, >1HPO_1|Chains... at 96%
1hpsRCSB PDB    PDBbind99aa, >1HPS_1|Chains... at 100%
1hpvRCSB PDB    PDBbind99aa, >1HPV_1|Chains... at 100%
1hpxRCSB PDB    PDBbind99aa, >1HPX_1|Chains... at 100%
1hsgRCSB PDB    PDBbind99aa, >1HSG_1|Chains... at 100%
1hteRCSB PDB    PDBbind99aa, >1HTE_1|Chains... at 100%
1htfRCSB PDB    PDBbind99aa, >1HTF_1|Chains... at 100%
1htgRCSB PDB    PDBbind99aa, >1HTG_1|Chains... at 100%
1hvhRCSB PDB    PDBbind99aa, >1HVH_1|Chains... at 97%
1hviRCSB PDB    PDBbind99aa, >1HVI_1|Chains... at 100%
1hvjRCSB PDB    PDBbind99aa, >1HVJ_1|Chains... at 100%
1hvkRCSB PDB    PDBbind99aa, >1HVK_1|Chains... at 100%
1hvlRCSB PDB    PDBbind99aa, >1HVL_1|Chains... at 100%
1hvrRCSB PDB    PDBbind99aa, >1HVR_1|Chains... at 97%
1hvsRCSB PDB    PDBbind99aa, >1HVS_1|Chains... at 98%
1hwrRCSB PDB    PDBbind99aa, >1HWR_1|Chains... at 97%
1hxbRCSB PDB    PDBbind99aa, >1HXB_1|Chains... at 98%
1iiqRCSB PDB    PDBbind99aa, >1IIQ_1|Chains... at 100%
1iziRCSB PDB    PDBbind99aa, >1IZI_1|Chains... at 95%
1lzqRCSB PDB    PDBbind99aa, >1LZQ_1|Chains... at 96%
1m0bRCSB PDB    PDBbind99aa, >1M0B_1|Chains... at 100%
1mesRCSB PDB    PDBbind99aa, >1MES_1|Chains... at 97%
1metRCSB PDB    PDBbind99aa, >1MET_1|Chains... at 97%
1meuRCSB PDB    PDBbind99aa, >1MEU_1|Chains... at 96%
1mrwRCSB PDB    PDBbind99aa, >1MRW_1|Chains... at 96%
1mrxRCSB PDB    PDBbind99aa, >1MRX_1|Chains... at 94%
1msmRCSB PDB    PDBbind99aa, >1MSM_1|Chains... at 96%
1msnRCSB PDB    PDBbind99aa, >1MSN_1|Chains... at 94%
1muiRCSB PDB    PDBbind99aa, >1MUI_1|Chains... at 100%
1nh0RCSB PDB    PDBbind99aa, >1NH0_1|Chains... at 100%
1npaRCSB PDB    PDBbind99aa, >1NPA_1|Chains... at 100%
1npvRCSB PDB    PDBbind99aa, >1NPV_1|Chains... at 100%
1npwRCSB PDB    PDBbind99aa, >1NPW_1|Chains... at 100%
1odyRCSB PDB    PDBbind99aa, >1ODY_1|Chains... at 97%
1ohrRCSB PDB    PDBbind99aa, >1OHR_1|Chains... at 100%
1qbrRCSB PDB    PDBbind99aa, >1QBR_1|Chains... at 97%
1qbsRCSB PDB    PDBbind99aa, >1QBS_1|Chains... at 97%
1qbtRCSB PDB    PDBbind99aa, >1QBT_1|Chains... at 97%
1qbuRCSB PDB    PDBbind99aa, >1QBU_1|Chains... at 97%
1tcxRCSB PDB    PDBbind99aa, >1TCX_1|Chains... at 96%
1w5vRCSB PDB    PDBbind110aa, >1W5V_1|Chains... *
1w5wRCSB PDB    PDBbind110aa, >1W5W_1|Chains... at 100%
1w5xRCSB PDB    PDBbind110aa, >1W5X_1|Chains... at 100%
1w5yRCSB PDB    PDBbind110aa, >1W5Y_1|Chains... at 100%
1yt9RCSB PDB    PDBbind99aa, >1YT9_1|Chains... at 100%
1zsfRCSB PDB    PDBbind99aa, >1ZSF_1|Chains... at 100%
1zsrRCSB PDB    PDBbind99aa, >1ZSR_1|Chains... at 100%
2aquRCSB PDB    PDBbind99aa, >2AQU_1|Chains... at 100%
2azbRCSB PDB    PDBbind99aa, >2AZB_1|Chain... at 94%
2azcRCSB PDB    PDBbind99aa, >2AZC_1|Chains... at 91%
2bbbRCSB PDB    PDBbind99aa, >2BBB_1|Chains... at 100%
2bpvRCSB PDB    PDBbind99aa, >2BPV_1|Chains... at 100%
2bpxRCSB PDB    PDBbind99aa, >2BPX_1|Chains... at 100%
2bpyRCSB PDB    PDBbind99aa, >2BPY_1|Chains... at 100%
2bqvRCSB PDB    PDBbind99aa, >2BQV_1|Chains... at 100%
2cejRCSB PDB    PDBbind99aa, >2CEJ_1|Chains... at 100%
2cemRCSB PDB    PDBbind99aa, >2CEM_1|Chains... at 100%
2cenRCSB PDB    PDBbind99aa, >2CEN_1|Chains... at 100%
2fdeRCSB PDB    PDBbind100aa, >2FDE_1|Chains... at 99%
2fleRCSB PDB    PDBbind99aa, >2FLE_1|Chains... at 97%
2i4vRCSB PDB    PDBbind99aa, >2I4V_1|Chains... at 96%
2i4xRCSB PDB    PDBbind99aa, >2I4X_1|Chains... at 96%
2o4lRCSB PDB    PDBbind99aa, >2O4L_1|Chains... at 97%
2o4nRCSB PDB    PDBbind99aa, >2O4N_1|Chains... at 92%
2pk5RCSB PDB    PDBbind99aa, >2PK5_1|Chains... at 96%
2pk6RCSB PDB    PDBbind99aa, >2PK6_1|Chains... at 96%
2pqzRCSB PDB    PDBbind99aa, >2PQZ_1|Chains... at 100%
2pwcRCSB PDB    PDBbind99aa, >2PWC_1|Chains... at 100%
2pwrRCSB PDB    PDBbind99aa, >2PWR_1|Chains... at 100%
2pymRCSB PDB    PDBbind99aa, >2PYM_1|Chains... at 96%
2pynRCSB PDB    PDBbind99aa, >2PYN_1|Chains... at 96%
2q63RCSB PDB    PDBbind99aa, >2Q63_1|Chains... at 96%
2q64RCSB PDB    PDBbind99aa, >2Q64_1|Chains... at 97%
2qhcRCSB PDB    PDBbind99aa, >2QHC_1|Chains... at 98%
2qnnRCSB PDB    PDBbind99aa, >2QNN_1|Chains... at 100%
2qnpRCSB PDB    PDBbind99aa, >2QNP_1|Chains... at 100%
2qnqRCSB PDB    PDBbind99aa, >2QNQ_1|Chains... at 100%
2r38RCSB PDB    PDBbind99aa, >2R38_1|Chains... at 98%
2r3tRCSB PDB    PDBbind99aa, >2R3T_1|Chains... at 98%
2r3wRCSB PDB    PDBbind99aa, >2R3W_1|Chains... at 98%
2r43RCSB PDB    PDBbind99aa, >2R43_1|Chains... at 98%
2upjRCSB PDB    PDBbind99aa, >2UPJ_1|Chains... at 100%
2uxzRCSB PDB    PDBbind99aa, >2UXZ_1|Chains... at 100%
2uy0RCSB PDB    PDBbind99aa, >2UY0_1|Chains... at 100%
2wkzRCSB PDB    PDBbind99aa, >2WKZ_1|Chains... at 100%
2wl0RCSB PDB    PDBbind99aa, >2WL0_1|Chains... at 96%
2xyeRCSB PDB    PDBbind99aa, >2XYE_1|Chains... at 96%
2xyfRCSB PDB    PDBbind99aa, >2XYF_1|Chains... at 96%
2zgaRCSB PDB    PDBbind99aa, >2ZGA_1|Chain... at 100%
3bc4RCSB PDB    PDBbind99aa, >3BC4_1|Chain... at 98%
3bgbRCSB PDB    PDBbind99aa, >3BGB_1|Chains... at 100%
3bgcRCSB PDB    PDBbind99aa, >3BGC_1|Chains... at 100%
3cktRCSB PDB    PDBbind99aa, >3CKT_1|Chains... at 100%
3ggvRCSB PDB    PDBbind99aa, >3GGV_1|Chains... at 100%
3kdbRCSB PDB    PDBbind99aa, >3KDB_1|Chains... at 96%
3kdcRCSB PDB    PDBbind99aa, >3KDC_1|Chains... at 96%
3kddRCSB PDB    PDBbind99aa, >3KDD_1|Chains... at 96%
3lzsRCSB PDB    PDBbind99aa, >3LZS_1|Chains... at 91%
3lzuRCSB PDB    PDBbind99aa, >3LZU_1|Chains... at 90%
3s43RCSB PDB    PDBbind99aa, >3S43_2|Chain... at 91%
3s53RCSB PDB    PDBbind99aa, >3S53_1|Chains... at 91%
3s54RCSB PDB    PDBbind99aa, >3S54_1|Chains... at 91%
3s56RCSB PDB    PDBbind99aa, >3S56_1|Chains... at 91%
3th9RCSB PDB    PDBbind99aa, >3TH9_1|Chains... at 96%
3tkwRCSB PDB    PDBbind103aa, >3TKW_1|Chains... at 95%
3zpsRCSB PDB    PDBbind99aa, >3ZPS_1|Chains... at 96%
3zptRCSB PDB    PDBbind99aa, >3ZPT_1|Chains... at 96%
3zpuRCSB PDB    PDBbind99aa, >3ZPU_1|Chains... at 96%
4a4qRCSB PDB    PDBbind99aa, >4A4Q_1|Chains... at 96%
4a6bRCSB PDB    PDBbind99aa, >4A6B_1|Chains... at 96%
4a6cRCSB PDB    PDBbind99aa, >4A6C_1|Chains... at 96%
4cp7RCSB PDB    PDBbind99aa, >4CP7_1|Chains... at 96%
4cpqRCSB PDB    PDBbind99aa, >4CPQ_1|Chains... at 96%
4cprRCSB PDB    PDBbind99aa, >4CPR_1|Chains... at 96%
4cpsRCSB PDB    PDBbind99aa, >4CPS_1|Chains... at 96%
4cptRCSB PDB    PDBbind99aa, >4CPT_1|Chains... at 96%
4cpuRCSB PDB    PDBbind99aa, >4CPU_1|Chains... at 96%
4cpwRCSB PDB    PDBbind99aa, >4CPW_1|Chains... at 96%
4cpxRCSB PDB    PDBbind99aa, >4CPX_1|Chains... at 96%
4fe6RCSB PDB    PDBbind99aa, >4FE6_1|Chain... at 100%
4hlaRCSB PDB    PDBbind99aa, >4HLA_1|Chains... at 100%
4i8wRCSB PDB    PDBbind99aa, >4I8W_1|Chains... at 100%
4i8zRCSB PDB    PDBbind99aa, >4I8Z_1|Chains... at 100%
4mc1RCSB PDB    PDBbind99aa, >4MC1_1|Chains... at 96%
4mc2RCSB PDB    PDBbind99aa, >4MC2_1|Chains... at 96%
4mc6RCSB PDB    PDBbind99aa, >4MC6_1|Chains... at 96%
4mc9RCSB PDB    PDBbind99aa, >4MC9_1|Chains... at 96%
4qgiRCSB PDB    PDBbind99aa, >4QGI_1|Chains... at 97%
4u7qRCSB PDB    PDBbind99aa, >4U7Q_1|Chains... at 96%
4u7vRCSB PDB    PDBbind99aa, >4U7V_1|Chains... at 96%
5ivtRCSB PDB    PDBbind99aa, >5IVT_1|Chains... at 96%
5kqxRCSB PDB    PDBbind99aa, >5KQX_1|Chains... at 92%
5kqyRCSB PDB    PDBbind99aa, >5KQY_1|Chains... at 92%
5kr0RCSB PDB    PDBbind99aa, >5KR0_1|Chains... at 92%
5tyrRCSB PDB    PDBbind99aa, >5TYR_1|Chains... at 100%
5tysRCSB PDB    PDBbind99aa, >5TYS_1|Chains... at 100%
7upjRCSB PDB    PDBbind99aa, >7UPJ_1|Chains... at 100%
6otgRCSB PDB    PDBbind99aa, >6OTG_1|Chains... at 91%
6ootRCSB PDB    PDBbind99aa, >6OOT_1|Chains... at 95%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID1ec3
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein Namehiv-1 protease
Ligand NameMS3
EC.Number E.C.3.4.23.16
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Ki=0.92nM
Release Year2002
Protein/NA SequenceCheck fasta file
Primary Reference Eur.J.Biochem. v270 pp. 1746-58, 2003
Ligand Properties
Formula C42H52N6O8
Molecular Weight 768.898
Exact Mass 768.385
No. of atoms 108
No. of bonds 111
Polar Surface Area 201.1
LOGP Value 2.78      (Computed with XLOGP3)
4.15      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 27
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): P03366  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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