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Related entries of code: 2ay6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
2ay1RCSB PDB    PDBbind394aa, >2AY1_1|Chains... *
2ay2RCSB PDB    PDBbind394aa, >2AY2_1|Chains... at 100%
2ay3RCSB PDB    PDBbind394aa, >2AY3_1|Chains... at 100%
2ay4RCSB PDB    PDBbind394aa, >2AY4_1|Chains... at 100%
2ay5RCSB PDB    PDBbind394aa, >2AY5_1|Chains... at 100%
2ay7RCSB PDB    PDBbind394aa, >2AY7_1|Chains... at 100%
2ay8RCSB PDB    PDBbind394aa, >2AY8_1|Chains... at 100%
2ay9RCSB PDB    PDBbind394aa, >2AY9_1|Chains... 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 ID2ay6
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namearomatic amino acid aminotransferase
Ligand Name3IB
EC.Number E.C.2.6.1.57
Resolution 2.2(Å)
Affinity (Kd/Ki/IC50)Kd=0.78mM
Release Year1999
Protein/NA SequenceCheck fasta file
Primary Reference Biochemistry v38 pp. 1176-84, 1999
Ligand Properties
Formula C12H13NO2
Molecular Weight 203.237
Exact Mass 203.095
No. of atoms 28
No. of bonds 29
Polar Surface Area 53.09
LOGP Value 3.61      (Computed with XLOGP3)
2.58      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 3
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): P95468  
Entrez Gene IDNo matched NCBI Entrez Gene ID found!
ASDInformation of known allosteric effects of PDB entries
 
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