Browse entries in the PDBbind-CN Database

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Related entries of code: 3eml
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3qakRCSB PDB    PDBbind488aa, >3QAK_1|Chain... at 99%
5wf5RCSB PDB    PDBbind504aa, >5WF5_1|Chain... *
5wf6RCSB PDB    PDBbind504aa, >5WF6_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3pwhRCSB PDB    PDBbindZMA
5iu4RCSB PDB    PDBbindZMA
6aqfRCSB PDB    PDBbindZMA
Entry Information
PDB ID3eml
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameA2A-T4L-deltaC
Ligand NameZMA
EC.Number E.C.-.-.-.-
Resolution 2.6(Å)
Affinity (Kd/Ki/IC50)Kd=1.8nM
Release Year2008
Protein/NA SequenceCheck fasta file
Primary Reference (2008) Science Vol. 322: pp. 1211-1217
Ligand Properties
Formula C16H15N7O2
Molecular Weight 337.336
Exact Mass 337.129
No. of atoms 40
No. of bonds 43
Polar Surface Area 127.39
LOGP Value 2.20      (Computed with XLOGP3)
2.38      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
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): P29274  P00720  
Entrez Gene IDNCBI Entrez Gene ID: 135  1258585  
ASDInformation of known allosteric effects of PDB entries
 
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