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Related entries of code: 3kr5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3kr4RCSB PDB    PDBbind528aa, >3KR4_1|Chains... *
3t8wRCSB PDB    PDBbind528aa, >3T8W_1|Chains... at 100%
4k3nRCSB PDB    PDBbind528aa, >4K3N_1|Chains... at 100%
4r6tRCSB PDB    PDBbind528aa, >4R6T_1|Chains... at 100%
4r76RCSB PDB    PDBbind528aa, >4R76_1|Chains... at 100%
4r7mRCSB PDB    PDBbind528aa, >4R7M_1|Chains... at 100%
4zx8RCSB PDB    PDBbind522aa, >4ZX8_1|Chains... at 99%
4zx9RCSB PDB    PDBbind522aa, >4ZX9_1|Chains... at 99%
4zy0RCSB PDB    PDBbind522aa, >4ZY0_1|Chains... at 99%
4zy1RCSB PDB    PDBbind522aa, >4ZY1_1|Chains... at 99%
4zy2RCSB PDB    PDBbind522aa, >4ZY2_1|Chains... at 99%
4zyqRCSB PDB    PDBbind522aa, >4ZYQ_1|Chains... at 99%
5cbmRCSB PDB    PDBbind519aa, >5CBM_1|Chains... at 100%
6ee2RCSB PDB    PDBbind526aa, >6EE2_1|Chains... at 100%
6eeeRCSB PDB    PDBbind519aa, >6EEE_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3ebiRCSB PDB    PDBbindBEY

Entry Information
PDB ID3kr5
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NamePlasmodium falciparum M17 leucyl aminopeptidase
Ligand NameBEY
EC.Number E.C.3.4.11.1
Resolution 2.56(Å)
Affinity (Kd/Ki/IC50)Ki=13nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Proc.Natl.Acad.Sci.USA Vol. 107: pp. 2449-2454
Ligand Properties
Formula C19H26NO4P
Molecular Weight 363.388
Exact Mass 363.160
No. of atoms 51
No. of bonds 52
Polar Surface Area 118.99
LOGP Value 0.75      (Computed with XLOGP3)
1.96      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
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): Q8IL11  
Entrez Gene IDNCBI Entrez Gene ID: 812021  
ASDInformation of known allosteric effects of PDB entries

 
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