Browse entries in the PDBbind-CN Database

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Related entries of code: 2xml
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
4xdoRCSB PDB    PDBbind338aa, >4XDO_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
1h2kRCSB PDB    PDBbindOGA
2oq6RCSB PDB    PDBbindOGA
2qrlRCSB PDB    PDBbindOGA
3hqrRCSB PDB    PDBbindOGA
4idzRCSB PDB    PDBbindOGA
4nhxRCSB PDB    PDBbindOGA
4nrpRCSB PDB    PDBbindOGA
4xdoRCSB PDB    PDBbindOGA
5a1fRCSB PDB    PDBbindOGA

Entry Information
PDB ID2xml
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein Namehuman JMJD2C catalytic domain (KDM4C)
Ligand NameOGA
EC.Number E.C.1.14.11.-
Resolution 2.55(Å)
Affinity (Kd/Ki/IC50)IC50=500uM
Release Year2010
Protein/NA SequenceCheck fasta file
Primary Reference (2011) J. Med. Chem., Vol.54, pp.8236-8250
Ligand Properties
Formula C4H5NO5
Molecular Weight 147.086
Exact Mass 147.017
No. of atoms 15
No. of bonds 14
Polar Surface Area 103.7
LOGP Value 0.63      (Computed with XLOGP3)
-1.34      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 6
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): Q9H3R0  
Entrez Gene IDNCBI Entrez Gene ID: 23081  
ASDInformation of known allosteric effects of PDB entries

 
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