PDB Entry (1pvs) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 1pvs | Resolution: 2.4 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 12009927 | DOI: 10.1021/bc015527v | |
Protein |
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Protein Name: DNA-3-methyladenine glycosylase 2 | |
Protein Class: TRANSCRIPTION REGULATOR | |
Uniprot ID/ACC: P04395 (3MG2_ECOLI) | Organism: Escherichia coli |
Gene Symbol: - | Gene ID: 947371 |
Pocket Descriptors | |
Volume: 1123.9 | Depth: 31.5201 |
Hydrophobicity: 0.696658 | Drug Score: 0.879135 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: 7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE | ||
HET ID: 7HP | PubChem: 135460353 | |
DrugBank: - | ChEMBL: CHEMBL1230569 | |
Canonical SMILES: Oc1ncnc2c1[nH]nc2 | ||
Standard InChI: InChI=1S/C5H4N4O/c10-5-4-3(1-8-9-4)6-2-7-5/h1-2H,(H,8,9)(H,6,7,10) | ||
Molecular Formula: C5H4N4O | Mol. Weight: 136.11147 | Heavy Atoms: 10 |
Charge: 0 | Is Chiral: False | logP: 0.0585 |
HBD: 2 | HBA: 4 | TPSA: 74.69 |
#Bonds: 12 | #Rotatable Bonds: 0 | Shape Complexity: 0.0 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
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