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Related entries of code: 3q44
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3ebhRCSB PDB    PDBbind889aa, >3EBH_1|Chain... at 100%
3ebiRCSB PDB    PDBbind890aa, >3EBI_1|Chain... at 100%
3q43RCSB PDB    PDBbind891aa, >3Q43_1|Chain... at 99%
3t8vRCSB PDB    PDBbind895aa, >3T8V_1|Chain... at 99%
4k5lRCSB PDB    PDBbind898aa, >4K5L_1|Chain... at 99%
4k5mRCSB PDB    PDBbind898aa, >4K5M_1|Chain... at 99%
4k5nRCSB PDB    PDBbind895aa, >4K5N_1|Chain... at 99%
4k5oRCSB PDB    PDBbind895aa, >4K5O_1|Chain... at 99%
4k5pRCSB PDB    PDBbind895aa, >4K5P_1|Chain... at 99%
4r5tRCSB PDB    PDBbind896aa, >4R5T_1|Chain... at 99%
4r5vRCSB PDB    PDBbind895aa, >4R5V_1|Chain... at 99%
4r5xRCSB PDB    PDBbind903aa, >4R5X_1|Chain... *
4zqtRCSB PDB    PDBbind889aa, >4ZQT_1|Chain... at 100%
4zw3RCSB PDB    PDBbind890aa, >4ZW3_1|Chain... at 100%
4zw5RCSB PDB    PDBbind890aa, >4ZW5_1|Chain... at 100%
4zw6RCSB PDB    PDBbind890aa, >4ZW6_1|Chain... at 100%
4zw7RCSB PDB    PDBbind890aa, >4ZW7_1|Chain... at 100%
4zw8RCSB PDB    PDBbind890aa, >4ZW8_1|Chain... at 100%
4zx3RCSB PDB    PDBbind890aa, >4ZX3_1|Chain... at 100%
4zx4RCSB PDB    PDBbind890aa, >4ZX4_1|Chain... at 100%
4zx5RCSB PDB    PDBbind890aa, >4ZX5_1|Chain... at 100%
4zx6RCSB PDB    PDBbind890aa, >4ZX6_1|Chain... at 100%
6ea1RCSB PDB    PDBbind889aa, >6EA1_1|Chain... at 100%
6ea2RCSB PDB    PDBbind889aa, >6EA2_1|Chain... at 100%
6eaaRCSB PDB    PDBbind889aa, >6EAA_1|Chain... at 100%
6eabRCSB PDB    PDBbind889aa, >6EAB_1|Chain... at 100%
6ee3RCSB PDB    PDBbind889aa, >6EE3_1|Chain... at 100%
6ee4RCSB PDB    PDBbind889aa, >6EE4_1|Chain... at 100%
6ee6RCSB PDB    PDBbind889aa, >6EE6_1|Chain... at 100%
6eedRCSB PDB    PDBbind889aa, >6EED_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID3q44
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameM1 family aminopeptidase, PfA-M1
Ligand NameD50
EC.Number E.C.3.4.11
Resolution 1.8(Å)
Affinity (Kd/Ki/IC50)Ki=490nM
Release Year2011
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J.Med.Chem. Vol. 54: pp. 1655-1666
Ligand Properties
Formula C23H31N2O5
Molecular Weight 415.503
Exact Mass 415.223
No. of atoms 61
No. of bonds 62
Polar Surface Area 123.5
LOGP Value 1.39      (Computed with XLOGP3)
1.79      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 7
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): O96935  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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