Browse entries in the PDBbind-CN Database

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Related entries of code: 4ai8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
1yciRCSB PDB    PDBbind349aa, >1YCI_1|Chain... at 100%
2w0xRCSB PDB    PDBbind349aa, >2W0X_1|Chain... at 100%
2wa3RCSB PDB    PDBbind349aa, >2WA3_1|Chain... at 100%
2wa4RCSB PDB    PDBbind349aa, >2WA4_1|Chain... at 100%
2yc0RCSB PDB    PDBbind352aa, >2YC0_1|Chain... *
2ydeRCSB PDB    PDBbind352aa, >2YDE_1|Chain... at 100%
4bioRCSB PDB    PDBbind352aa, >4BIO_1|Chain... at 100%
5op6RCSB PDB    PDBbind351aa, >5OP6_1|Chain... at 100%
5op8RCSB PDB    PDBbind350aa, >5OP8_1|Chain... at 99%
5opcRCSB PDB    PDBbind350aa, >5OPC_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!

Entry Information
PDB ID4ai8
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameHYPOXIA-INDUCIBLE FACTOR 1-ALPHA INHIBITOR, FIH
Ligand NameDZA
EC.Number E.C.1.14.11.30;1.14.11.n4
Resolution 2.4(Å)
Affinity (Kd/Ki/IC50)IC50>100uM
Release Year2012
Protein/NA SequenceCheck fasta file
Primary Reference (2012) J.Med.Chem. Vol. 55: pp. 6639-6643
Ligand Properties
Formula C6H13N2O3
Molecular Weight 161.179
Exact Mass 161.093
No. of atoms 24
No. of bonds 23
Polar Surface Area 70.84
LOGP Value -1.63      (Computed with XLOGP3)
-1.58      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 0
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): Q9NWT6  
Entrez Gene IDNCBI Entrez Gene ID: 55662  
ASDInformation of known allosteric effects of PDB entries

 
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