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Related entries of code: 3kr4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3kr5RCSB PDB    PDBbind528aa, >3KR5_1|Chains... at 100%
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
1hs6RCSB PDB    PDBbindBES
1txrRCSB PDB    PDBbindBES
2zofRCSB PDB    PDBbindBES
3ebhRCSB PDB    PDBbindBES
4fkkRCSB PDB    PDBbindBES
4kxbRCSB PDB    PDBbindBES
4zlaRCSB PDB    PDBbindBES
Entry Information
PDB ID3kr4
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NamePlasmodium falciparum M17 leucyl aminopeptidase
Ligand NameBES
EC.Number E.C.3.4.11.1
Resolution 2(Å)
Affinity (Kd/Ki/IC50)Ki=25nM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2010) Proc.Natl.Acad.Sci.USA Vol. 107: pp. 2449-2454
Ligand Properties
Formula C16H25N2O4
Molecular Weight 309.381
Exact Mass 309.181
No. of atoms 47
No. of bonds 47
Polar Surface Area 114.27
LOGP Value -0.08      (Computed with XLOGP3)
0.21      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 1
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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