PDB Entry (5ly2) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 5ly2 | Resolution: 2.43 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 28382930 | DOI: 10.1038/ncomms14773 | |
Protein |
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Protein Name: Lysine-specific demethylase 4A | |
Protein Class: TRANSCRIPTION REGULATOR | |
Uniprot ID/ACC: O75164 (KDM4A_HUMAN) | Organism: Homo sapiens |
Gene Symbol: KDM4A | Gene ID: 9682 |
Pocket Descriptors | |
Volume: 113.408 | Depth: 21.317 |
Hydrophobicity: 0.66879 | Drug Score: 0.0214022 |
Pocket Similarity: Calculate |
Ligand |
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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 |
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