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Related entries of code: 4r76
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3kr4RCSB PDB    PDBbind528aa, >3KR4_1|Chains... *
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%
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
4r5xRCSB PDB    PDBbindR5X
Entry Information
PDB ID4r76
Complex TypeProtein-Ligand
PDBbind Subsetrefined set
Protein NameM17 leucyl aminopeptidase A-M17
Ligand NameR5X
EC.Number E.C.-.-.-.-
Resolution 2.5(Å)
Affinity (Kd/Ki/IC50)Ki=14nM
Release Year2014
Protein/NA SequenceCheck fasta file
Primary Reference (2014) J.Med.Chem. Vol. 57: pp. 9168-9183
Ligand Properties
Formula C18H17N5O3
Molecular Weight 351.359
Exact Mass 351.133
No. of atoms 43
No. of bonds 45
Polar Surface Area 122.27
LOGP Value 1.04      (Computed with XLOGP3)
2.79      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 3
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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