Browse entries in the PDBbind-CN Database

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Related entries of code: 4jht
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
3khcRCSB PDB    PDBbind219aa, >3KHC_1|Chains... *
3t3yRCSB PDB    PDBbind206aa, >3T3Y_1|Chain... at 99%
3t4hRCSB PDB    PDBbind206aa, >3T4H_1|Chain... at 99%
3t4vRCSB PDB    PDBbind206aa, >3T4V_1|Chain... at 99%
4rfrRCSB PDB    PDBbind203aa, >4RFR_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
3njyRCSB PDB    PDBbind8XQ
4bioRCSB PDB    PDBbind8XQ
4ie4RCSB PDB    PDBbind8XQ
Entry Information
PDB ID4jht
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameAlpha-ketoglutarate-dependent dioxygenase AlkB
Ligand Name8XQ
EC.Number E.C.1.14.11.33
Resolution 1.18(Å)
Affinity (Kd/Ki/IC50)IC50=10.2uM
Release Year2013
Protein/NA SequenceCheck fasta file
Primary Reference (2013) CHEM. SCI. Vol. 4: 3110-3117
Ligand Properties
Formula C10H7NO3
Molecular Weight 189.167
Exact Mass 189.043
No. of atoms 21
No. of bonds 22
Polar Surface Area 70.42
LOGP Value 2.45      (Computed with XLOGP3)
1.64      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 4
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): P05050  
Entrez Gene IDNCBI Entrez Gene ID: 946708  
ASDInformation of known allosteric effects of PDB entries
 
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