PDB Entry (5pjv) Download |
||
Visualizer: MichelaNGLo |
||
PDB ID: 5pjv | Resolution: 1.34 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 28436492 | DOI: 10.1038/ncomms15123 | |
Protein |
|
Protein Name: Lysine-specific demethylase 4D | |
Protein Class: TRANSCRIPTION REGULATOR | |
Uniprot ID/ACC: Q6B0I6 (KDM4D_HUMAN) | Organism: Homo sapiens |
Gene Symbol: KDM4D | Gene ID: 55693 |
Pocket Descriptors | |
Volume: 795.392 | Depth: 19.279 |
Hydrophobicity: 0.668639 | Drug Score: 0.61859 |
Pocket Similarity: Calculate |
Ligand |
||
Ligand Name: N-OXALYLGLYCINE | ||
HET ID: OGA | PubChem: 3080614 | |
DrugBank: - | ChEMBL: CHEMBL90852 | |
Canonical SMILES: OC(=O)CNC(=O)C(=O)O | ||
Standard InChI: InChI=1S/C4H5NO5/c6-2(7)1-5-3(8)4(9)10/h1H2,(H,5,8)(H,6,7)(H,9,10) | ||
Molecular Formula: C4H5NO5 | Mol. Weight: 147.0862 | Heavy Atoms: 10 |
Charge: 0 | Is Chiral: False | logP: -1.3373 |
HBD: 3 | HBA: 6 | TPSA: 103.7 |
#Bonds: 9 | #Rotatable Bonds: 4 | Shape Complexity: 0.25 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
||
- |