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Related entries of code: 3ekq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1ebyRCSB PDB    PDBbind99aa, >1EBY:B|PDBID|CHAIN|... at 90%
1hxwRCSB PDB    PDBbind99aa, >1HXW:B|PDBID|CHAIN|... at 90%
1izhRCSB PDB    PDBbind99aa, >1IZH:B|PDBID|CHAIN|... at 90%
1k6cRCSB PDB    PDBbind99aa, >1K6C:B|PDBID|CHAIN|... at 91%
1k6pRCSB PDB    PDBbind99aa, >1K6P:B|PDBID|CHAIN|... at 91%
1k6tRCSB PDB    PDBbind99aa, >1K6T:B|PDBID|CHAIN|... at 91%
1k6vRCSB PDB    PDBbind99aa, >1K6V:B|PDBID|CHAIN|... at 91%
1proRCSB PDB    PDBbind99aa, >1PRO:B|PDBID|CHAIN|... at 90%
1sbgRCSB PDB    PDBbind99aa, >1SBG:B|PDBID|CHAIN|... at 90%
1t7jRCSB PDB    PDBbind99aa, >1T7J:B|PDBID|CHAIN|... at 91%
1vijRCSB PDB    PDBbind99aa, >1VIJ:B|PDBID|CHAIN|... at 90%
1vikRCSB PDB    PDBbind99aa, >1VIK:B|PDBID|CHAIN|... at 90%
1zp8RCSB PDB    PDBbind99aa, >1ZP8:A|PDBID|CHAIN|... at 90%
1zpaRCSB PDB    PDBbind99aa, >1ZPA:A|PDBID|CHAIN|... at 90%
2az8RCSB PDB    PDBbind99aa, >2AZ8:A|PDBID|CHAIN|... at 91%
2az9RCSB PDB    PDBbind99aa, >2AZ9:A|PDBID|CHAIN|... at 90%
2i4dRCSB PDB    PDBbind99aa, >2I4D:B|PDBID|CHAIN|... at 90%
2i4uRCSB PDB    PDBbind99aa, >2I4U:B|PDBID|CHAIN|... at 90%
2i4wRCSB PDB    PDBbind99aa, >2I4W:B|PDBID|CHAIN|... at 90%
2o4kRCSB PDB    PDBbind99aa, >2O4K:B|PDBID|CHAIN|... at 90%
2o4pRCSB PDB    PDBbind99aa, >2O4P:B|PDBID|CHAIN|... at 90%
2o4sRCSB PDB    PDBbind99aa, >2O4S:B|PDBID|CHAIN|... at 90%
2p3bRCSB PDB    PDBbind99aa, >2P3B:A|PDBID|CHAIN|... at 90%
3ekpRCSB PDB    PDBbind99aa, >3EKP:D|PDBID|CHAIN|... at 90%
3ektRCSB PDB    PDBbind99aa, >3EKT:D|PDBID|CHAIN|... at 90%
3ekwRCSB PDB    PDBbind99aa, >3EKW:B|PDBID|CHAIN|... at 90%
3el0RCSB PDB    PDBbind99aa, >3EL0:B|PDBID|CHAIN|... at 90%
3el4RCSB PDB    PDBbind99aa, >3EL4:B|PDBID|CHAIN|... at 92%
3el5RCSB PDB    PDBbind99aa, >3EL5:B|PDBID|CHAIN|... at 91%
3kfnRCSB PDB    PDBbind99aa, >3KFN:B|PDBID|CHAIN|... at 91%
3m9fRCSB PDB    PDBbind99aa, >3M9F:B|PDBID|CHAIN|... at 90%
3tlhRCSB PDB    PDBbind99aa, >3TLH:A|PDBID|CHAIN|... at 90%
4eqjRCSB PDB    PDBbind203aa, >4EQJ:A|PDBID|CHAIN|... *
4ll3RCSB PDB    PDBbind99aa, >4LL3:B|PDBID|CHAIN|... at 90%
4phvRCSB PDB    PDBbind99aa, >4PHV:B|PDBID|CHAIN|... at 90%
5hvpRCSB PDB    PDBbind99aa, >5HVP:B|PDBID|CHAIN|... at 90%
5ivsRCSB PDB    PDBbind99aa, >5IVS:B|PDBID|CHAIN|... at 90%
9hvpRCSB PDB    PDBbind99aa, >9HVP:B|PDBID|CHAIN|... at 90%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1hxbRCSB PDB    PDBbindROC
2nmyRCSB PDB    PDBbindROC
2nmzRCSB PDB    PDBbindROC
2nnkRCSB PDB    PDBbindROC
2nnpRCSB PDB    PDBbindROC
3cyxRCSB PDB    PDBbindROC
3d1xRCSB PDB    PDBbindROC
3d1yRCSB 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 ID3ekq
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameProtease(Q7K/L10I/G48V/I54V/V64I/V82A)
Ligand NameROC
EC.Number E.C.3.4.23.16
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Kd=176.0nM
Release Year2009
Protein/NA SequenceCheck fasta file
Primary Reference(2012) Acs Chem.Biol. Vol. 7: pp. 1536-1546
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 likenessNo. of Hydrogen Bond Donors: 5
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): P03369  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries

 
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